1-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-3-[2-(1-fluoroethyl)-3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]urea

C18H24FN5O3S2 — CID 167337029

About 1-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-3-[2-(1-fluoroethyl)-3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]urea

1-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-3-[2-(1-fluoroethyl)-3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]urea (PubChem CID 167337029) has the molecular formula C18H24FN5O3S2 and a molecular weight of 441.55 g/mol. Its IUPAC name is 1-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-3-[2-(1-fluoroethyl)-3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]urea.

Molecular Properties

• Compound Name: 1-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-3-[2-(1-fluoroethyl)-3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]urea
• PubChem CID: 167337029
• Molecular Formula: C18H24FN5O3S2
• Molecular Weight: 441.55 g/mol
• Exact Mass: 441.13
• IUPAC Name: 1-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-3-[2-(1-fluoroethyl)-3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]urea
• SMILES: Cc1c(C(C)F)nc2c(c1NC(=O)N=S(N)(=O)c1cnc(C(C)(C)O)s1)CCC2
• InChI: InChI=1S/C18H24FN5O3S2/c1-9-14(10(2)19)22-12-7-5-6-11(12)15(9)23-17(25)24-29(20,27)13-8-21-16(28-13)18(3,4)26/h8,10,26H,5-7H2,1-4H3,(H3,20,22,23,24,25,27)
• InChIKey: RIIPHURAZYTZSO-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 130.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.55
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-3-[2-(1-fluoroethyl)-3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]urea?

The IUPAC name of 1-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-3-[2-(1-fluoroethyl)-3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]urea (CID 167337029) is 1-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-3-[2-(1-fluoroethyl)-3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]urea.

What is the SMILES notation for 1-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-3-[2-(1-fluoroethyl)-3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]urea?

The canonical SMILES for 1-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-3-[2-(1-fluoroethyl)-3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]urea is Cc1c(C(C)F)nc2c(c1NC(=O)N=S(N)(=O)c1cnc(C(C)(C)O)s1)CCC2.

What is the InChIKey of 1-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-3-[2-(1-fluoroethyl)-3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]urea?

The InChIKey is RIIPHURAZYTZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5O3S2/c1-9-14(10(2)19)22-12-7-5-6-11(12)15(9)23-17(25)24-29(20,27)13-8-21-16(28-13)18(3,4)26/h8,10,26H,5-7H2,1-4H3,(H3,20,22,23,24,25,27).

What are the key properties of 1-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-3-[2-(1-fluoroethyl)-3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]urea?

1-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-3-[2-(1-fluoroethyl)-3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]urea has a molecular weight of 441.55 g/mol, XLogP of 3.53, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-3-[2-(1-fluoroethyl)-3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]urea is sourced from PubChem (CID 167337029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).