but-3-yn-2-yl N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methylcarbamate;3-but-2-ynyl-1-methyl-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)urea;3-but-3-yn-2-yl-1-methyl-1-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)urea;1-methyl-3-(2-methylbut-3-yn-2-yl)-1-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)urea;1-methyl-1-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-3-prop-2-ynylurea;prop-2-ynyl N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methylcarbamate;prop-2-ynyl N-methyl-N-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)carbamate

C99H99F2N29O10S7 — CID 157077974

About but-3-yn-2-yl N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methylcarbamate;3-but-2-ynyl-1-methyl-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)urea;3-but-3-yn-2-yl-1-methyl-1-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)urea;1-methyl-3-(2-methylbut-3-yn-2-yl)-1-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)urea;1-methyl-1-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-3-prop-2-ynylurea;prop-2-ynyl N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methylcarbamate;prop-2-ynyl N-methyl-N-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)carbamate

but-3-yn-2-yl N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methylcarbamate;3-but-2-ynyl-1-methyl-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)urea;3-but-3-yn-2-yl-1-methyl-1-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)urea;1-methyl-3-(2-methylbut-3-yn-2-yl)-1-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)urea;1-methyl-1-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-3-prop-2-ynylurea;prop-2-ynyl N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methylcarbamate;prop-2-ynyl N-methyl-N-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)carbamate (PubChem CID 157077974) has the molecular formula C99H99F2N29O10S7 and a molecular weight of 2117.54 g/mol. Its IUPAC name is but-3-yn-2-yl N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methylcarbamate;3-but-2-ynyl-1-methyl-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)urea;3-but-3-yn-2-yl-1-methyl-1-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)urea;1-methyl-3-(2-methylbut-3-yn-2-yl)-1-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)urea;1-methyl-1-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-3-prop-2-ynylurea;prop-2-ynyl N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methylcarbamate;prop-2-ynyl N-methyl-N-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)carbamate.

Molecular Properties

• Compound Name: but-3-yn-2-yl N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methylcarbamate;3-but-2-ynyl-1-methyl-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)urea;3-but-3-yn-2-yl-1-methyl-1-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)urea;1-methyl-3-(2-methylbut-3-yn-2-yl)-1-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)urea;1-methyl-1-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-3-prop-2-ynylurea;prop-2-ynyl N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methylcarbamate;prop-2-ynyl N-methyl-N-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)carbamate
• PubChem CID: 157077974
• Molecular Formula: C99H99F2N29O10S7
• Molecular Weight: 2117.54 g/mol
• Exact Mass: 2115.61
• IUPAC Name: but-3-yn-2-yl N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methylcarbamate;3-but-2-ynyl-1-methyl-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)urea;3-but-3-yn-2-yl-1-methyl-1-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)urea;1-methyl-3-(2-methylbut-3-yn-2-yl)-1-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)urea;1-methyl-1-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-3-prop-2-ynylurea;prop-2-ynyl N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methylcarbamate;prop-2-ynyl N-methyl-N-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)carbamate
• SMILES: C#CC(C)(C)NC(=O)N(C)c1sc(-c2cncnc2)nc1C.C#CC(C)NC(=O)N(C)c1sc(-c2cncnc2)nc1C.C#CC(C)OC(=O)N(C)c1sc(-c2cncc(F)c2)nc1C.C#CCNC(=O)N(C)c1sc(-c2cncnc2)nc1C.C#CCOC(=O)N(C)c1sc(-c2cncc(F)c2)nc1C.C#CCOC(=O)N(C)c1sc(-c2cncnc2)nc1C.CC#CCNC(=O)N(C)c1sc(-c2cccnc2)nc1C
• InChI: InChI=1S/C15H14FN3O2S.C15H17N5OS.C15H16N4OS.C14H12FN3O2S.C14H15N5OS.C13H13N5OS.C13H12N4O2S/c1-5-9(2)21-15(20)19(4)14-10(3)18-13(22-14)11-6-12(16)8-17-7-11;1-6-15(3,4)19-14(21)20(5)13-10(2)18-12(22-13)11-7-16-9-17-8-11;1-4-5-9-17-15(20)19(3)14-11(2)18-13(21-14)12-7-6-8-16-10-12;1-4-5-20-14(19)18(3)13-9(2)17-12(21-13)10-6-11(15)8-16-7-10;1-5-9(2)17-14(20)19(4)13-10(3)18-12(21-13)11-6-15-8-16-7-11;1-4-5-16-13(19)18(3)12-9(2)17-11(20-12)10-6-14-8-15-7-10;1-4-5-19-13(18)17(3)12-9(2)16-11(20-12)10-6-14-8-15-7-10/h1,6-9H,2-4H3;1,7-9H,2-5H3,(H,19,21);6-8,10H,9H2,1-3H3,(H,17,20);1,6-8H,5H2,2-3H3;1,6-9H,2-4H3,(H,17,20);1,6-8H,5H2,2-3H3,(H,16,19);1,6-8H,5H2,2-3H3
• InChIKey: ADETUZOWLSEUHP-UHFFFAOYSA-N
• XLogP: 17.13
• TPSA: 450.00 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 35
• Rotatable Bonds: 21
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2117.54
LogP ≤ 5	17.13
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of but-3-yn-2-yl N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methylcarbamate;3-but-2-ynyl-1-methyl-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)urea;3-but-3-yn-2-yl-1-methyl-1-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)urea;1-methyl-3-(2-methylbut-3-yn-2-yl)-1-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)urea;1-methyl-1-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-3-prop-2-ynylurea;prop-2-ynyl N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methylcarbamate;prop-2-ynyl N-methyl-N-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)carbamate?

The IUPAC name of but-3-yn-2-yl N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methylcarbamate;3-but-2-ynyl-1-methyl-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)urea;3-but-3-yn-2-yl-1-methyl-1-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)urea;1-methyl-3-(2-methylbut-3-yn-2-yl)-1-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)urea;1-methyl-1-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-3-prop-2-ynylurea;prop-2-ynyl N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methylcarbamate;prop-2-ynyl N-methyl-N-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)carbamate (CID 157077974) is but-3-yn-2-yl N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methylcarbamate;3-but-2-ynyl-1-methyl-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)urea;3-but-3-yn-2-yl-1-methyl-1-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)urea;1-methyl-3-(2-methylbut-3-yn-2-yl)-1-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)urea;1-methyl-1-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-3-prop-2-ynylurea;prop-2-ynyl N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methylcarbamate;prop-2-ynyl N-methyl-N-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)carbamate.

What is the SMILES notation for but-3-yn-2-yl N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methylcarbamate;3-but-2-ynyl-1-methyl-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)urea;3-but-3-yn-2-yl-1-methyl-1-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)urea;1-methyl-3-(2-methylbut-3-yn-2-yl)-1-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)urea;1-methyl-1-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-3-prop-2-ynylurea;prop-2-ynyl N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methylcarbamate;prop-2-ynyl N-methyl-N-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)carbamate?

The canonical SMILES for but-3-yn-2-yl N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methylcarbamate;3-but-2-ynyl-1-methyl-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)urea;3-but-3-yn-2-yl-1-methyl-1-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)urea;1-methyl-3-(2-methylbut-3-yn-2-yl)-1-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)urea;1-methyl-1-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-3-prop-2-ynylurea;prop-2-ynyl N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methylcarbamate;prop-2-ynyl N-methyl-N-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)carbamate is C#CC(C)(C)NC(=O)N(C)c1sc(-c2cncnc2)nc1C.C#CC(C)NC(=O)N(C)c1sc(-c2cncnc2)nc1C.C#CC(C)OC(=O)N(C)c1sc(-c2cncc(F)c2)nc1C.C#CCNC(=O)N(C)c1sc(-c2cncnc2)nc1C.C#CCOC(=O)N(C)c1sc(-c2cncc(F)c2)nc1C.C#CCOC(=O)N(C)c1sc(-c2cncnc2)nc1C.CC#CCNC(=O)N(C)c1sc(-c2cccnc2)nc1C.

What is the InChIKey of but-3-yn-2-yl N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methylcarbamate;3-but-2-ynyl-1-methyl-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)urea;3-but-3-yn-2-yl-1-methyl-1-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)urea;1-methyl-3-(2-methylbut-3-yn-2-yl)-1-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)urea;1-methyl-1-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-3-prop-2-ynylurea;prop-2-ynyl N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methylcarbamate;prop-2-ynyl N-methyl-N-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)carbamate?

The InChIKey is ADETUZOWLSEUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2S.C15H17N5OS.C15H16N4OS.C14H12FN3O2S.C14H15N5OS.C13H13N5OS.C13H12N4O2S/c1-5-9(2)21-15(20)19(4)14-10(3)18-13(22-14)11-6-12(16)8-17-7-11;1-6-15(3,4)19-14(21)20(5)13-10(2)18-12(22-13)11-7-16-9-17-8-11;1-4-5-9-17-15(20)19(3)14-11(2)18-13(21-14)12-7-6-8-16-10-12;1-4-5-20-14(19)18(3)13-9(2)17-12(21-13)10-6-11(15)8-16-7-10;1-5-9(2)17-14(20)19(4)13-10(3)18-12(21-13)11-6-15-8-16-7-11;1-4-5-16-13(19)18(3)12-9(2)17-11(20-12)10-6-14-8-15-7-10;1-4-5-19-13(18)17(3)12-9(2)16-11(20-12)10-6-14-8-15-7-10/h1,6-9H,2-4H3;1,7-9H,2-5H3,(H,19,21);6-8,10H,9H2,1-3H3,(H,17,20);1,6-8H,5H2,2-3H3;1,6-9H,2-4H3,(H,17,20);1,6-8H,5H2,2-3H3,(H,16,19);1,6-8H,5H2,2-3H3.

What are the key properties of but-3-yn-2-yl N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methylcarbamate;3-but-2-ynyl-1-methyl-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)urea;3-but-3-yn-2-yl-1-methyl-1-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)urea;1-methyl-3-(2-methylbut-3-yn-2-yl)-1-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)urea;1-methyl-1-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-3-prop-2-ynylurea;prop-2-ynyl N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methylcarbamate;prop-2-ynyl N-methyl-N-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)carbamate?

but-3-yn-2-yl N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methylcarbamate;3-but-2-ynyl-1-methyl-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)urea;3-but-3-yn-2-yl-1-methyl-1-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)urea;1-methyl-3-(2-methylbut-3-yn-2-yl)-1-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)urea;1-methyl-1-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-3-prop-2-ynylurea;prop-2-ynyl N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methylcarbamate;prop-2-ynyl N-methyl-N-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)carbamate has a molecular weight of 2117.54 g/mol, XLogP of 17.13, 21 rotatable bonds, 4 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for but-3-yn-2-yl N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methylcarbamate;3-but-2-ynyl-1-methyl-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)urea;3-but-3-yn-2-yl-1-methyl-1-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)urea;1-methyl-3-(2-methylbut-3-yn-2-yl)-1-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)urea;1-methyl-1-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-3-prop-2-ynylurea;prop-2-ynyl N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methylcarbamate;prop-2-ynyl N-methyl-N-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)carbamate is sourced from PubChem (CID 157077974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).