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

C90H87F3N18O12S6 — CID 159175498

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

but-2-ynyl N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methylcarbamate;but-3-yn-2-yl N-methyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate;2-methylbut-3-yn-2-yl N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methylcarbamate;2-methylbut-3-yn-2-yl N-methyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate;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-pyridin-3-yl-1,3-thiazol-5-yl)carbamate (PubChem CID 159175498) has the molecular formula C90H87F3N18O12S6 and a molecular weight of 1862.20 g/mol. Its IUPAC name is but-2-ynyl N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methylcarbamate;but-3-yn-2-yl N-methyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate;2-methylbut-3-yn-2-yl N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methylcarbamate;2-methylbut-3-yn-2-yl N-methyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate;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-pyridin-3-yl-1,3-thiazol-5-yl)carbamate.

Molecular Properties

• Compound Name: but-2-ynyl N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methylcarbamate;but-3-yn-2-yl N-methyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate;2-methylbut-3-yn-2-yl N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methylcarbamate;2-methylbut-3-yn-2-yl N-methyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate;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-pyridin-3-yl-1,3-thiazol-5-yl)carbamate
• PubChem CID: 159175498
• Molecular Formula: C90H87F3N18O12S6
• Molecular Weight: 1862.20 g/mol
• Exact Mass: 1860.50
• IUPAC Name: but-2-ynyl N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methylcarbamate;but-3-yn-2-yl N-methyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate;2-methylbut-3-yn-2-yl N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methylcarbamate;2-methylbut-3-yn-2-yl N-methyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate;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-pyridin-3-yl-1,3-thiazol-5-yl)carbamate
• SMILES: C#CC(C)(C)OC(=O)N(C)c1sc(-c2cccnc2)nc1C.C#CC(C)(C)OC(=O)N(C)c1sc(-c2cncc(F)c2)nc1C.C#CC(C)OC(=O)N(C)c1sc(-c2cccnc2)nc1C.C#CCOC(=O)N(C)c1sc(-c2cccnc2)nc1C.C#CCOC(=O)N(C)c1sc(-c2cncc(F)c2)nc1C.CC#CCOC(=O)N(C)c1sc(-c2cncc(F)c2)nc1C
• InChI: InChI=1S/C16H16FN3O2S.C16H17N3O2S.C15H14FN3O2S.C15H15N3O2S.C14H12FN3O2S.C14H13N3O2S/c1-6-16(3,4)22-15(21)20(5)14-10(2)19-13(23-14)11-7-12(17)9-18-8-11;1-6-16(3,4)21-15(20)19(5)14-11(2)18-13(22-14)12-8-7-9-17-10-12;1-4-5-6-21-15(20)19(3)14-10(2)18-13(22-14)11-7-12(16)9-17-8-11;1-5-10(2)20-15(19)18(4)14-11(3)17-13(21-14)12-7-6-8-16-9-12;1-4-5-20-14(19)18(3)13-9(2)17-12(21-13)10-6-11(15)8-16-7-10;1-4-8-19-14(18)17(3)13-10(2)16-12(20-13)11-6-5-7-15-9-11/h1,7-9H,2-5H3;1,7-10H,2-5H3;7-9H,6H2,1-3H3;1,6-10H,2-4H3;1,6-8H,5H2,2-3H3;1,5-7,9H,8H2,2-3H3
• InChIKey: KMFLQSOYRBYBBU-UHFFFAOYSA-N
• XLogP: 19.07
• TPSA: 331.92 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 18
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1862.20
LogP ≤ 5	19.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

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

The IUPAC name of but-2-ynyl N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methylcarbamate;but-3-yn-2-yl N-methyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate;2-methylbut-3-yn-2-yl N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methylcarbamate;2-methylbut-3-yn-2-yl N-methyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate;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-pyridin-3-yl-1,3-thiazol-5-yl)carbamate (CID 159175498) is but-2-ynyl N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methylcarbamate;but-3-yn-2-yl N-methyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate;2-methylbut-3-yn-2-yl N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methylcarbamate;2-methylbut-3-yn-2-yl N-methyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate;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-pyridin-3-yl-1,3-thiazol-5-yl)carbamate.

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

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

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

The InChIKey is KMFLQSOYRBYBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2S.C16H17N3O2S.C15H14FN3O2S.C15H15N3O2S.C14H12FN3O2S.C14H13N3O2S/c1-6-16(3,4)22-15(21)20(5)14-10(2)19-13(23-14)11-7-12(17)9-18-8-11;1-6-16(3,4)21-15(20)19(5)14-11(2)18-13(22-14)12-8-7-9-17-10-12;1-4-5-6-21-15(20)19(3)14-10(2)18-13(22-14)11-7-12(16)9-17-8-11;1-5-10(2)20-15(19)18(4)14-11(3)17-13(21-14)12-7-6-8-16-9-12;1-4-5-20-14(19)18(3)13-9(2)17-12(21-13)10-6-11(15)8-16-7-10;1-4-8-19-14(18)17(3)13-10(2)16-12(20-13)11-6-5-7-15-9-11/h1,7-9H,2-5H3;1,7-10H,2-5H3;7-9H,6H2,1-3H3;1,6-10H,2-4H3;1,6-8H,5H2,2-3H3;1,5-7,9H,8H2,2-3H3.

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

but-2-ynyl N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methylcarbamate;but-3-yn-2-yl N-methyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate;2-methylbut-3-yn-2-yl N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methylcarbamate;2-methylbut-3-yn-2-yl N-methyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate;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-pyridin-3-yl-1,3-thiazol-5-yl)carbamate has a molecular weight of 1862.20 g/mol, XLogP of 19.07, 18 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for but-2-ynyl N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methylcarbamate;but-3-yn-2-yl N-methyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate;2-methylbut-3-yn-2-yl N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methylcarbamate;2-methylbut-3-yn-2-yl N-methyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate;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-pyridin-3-yl-1,3-thiazol-5-yl)carbamate is sourced from PubChem (CID 159175498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).