5-chloro-N-[4-[2-[2-fluoro-4-(3-oxomorpholin-4-yl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

C20H16ClFN4O4S2 — CID 59698858

About 5-chloro-N-[4-[2-[2-fluoro-4-(3-oxomorpholin-4-yl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

5-chloro-N-[4-[2-[2-fluoro-4-(3-oxomorpholin-4-yl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 59698858) has the molecular formula C20H16ClFN4O4S2 and a molecular weight of 494.96 g/mol. Its IUPAC name is 5-chloro-N-[4-[2-[2-fluoro-4-(3-oxomorpholin-4-yl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[4-[2-[2-fluoro-4-(3-oxomorpholin-4-yl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
• PubChem CID: 59698858
• Molecular Formula: C20H16ClFN4O4S2
• Molecular Weight: 494.96 g/mol
• Exact Mass: 494.03
• IUPAC Name: 5-chloro-N-[4-[2-[2-fluoro-4-(3-oxomorpholin-4-yl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
• SMILES: O=C(Cc1csc(NC(=O)c2ccc(Cl)s2)n1)Nc1ccc(N2CCOCC2=O)cc1F
• InChI: InChI=1S/C20H16ClFN4O4S2/c21-16-4-3-15(32-16)19(29)25-20-23-11(10-31-20)7-17(27)24-14-2-1-12(8-13(14)22)26-5-6-30-9-18(26)28/h1-4,8,10H,5-7,9H2,(H,24,27)(H,23,25,29)
• InChIKey: CRAWJBIQJUSDIH-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 100.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.96
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[2-[2-fluoro-4-(3-oxomorpholin-4-yl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

The IUPAC name of 5-chloro-N-[4-[2-[2-fluoro-4-(3-oxomorpholin-4-yl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 59698858) is 5-chloro-N-[4-[2-[2-fluoro-4-(3-oxomorpholin-4-yl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for 5-chloro-N-[4-[2-[2-fluoro-4-(3-oxomorpholin-4-yl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

The canonical SMILES for 5-chloro-N-[4-[2-[2-fluoro-4-(3-oxomorpholin-4-yl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is O=C(Cc1csc(NC(=O)c2ccc(Cl)s2)n1)Nc1ccc(N2CCOCC2=O)cc1F.

What is the InChIKey of 5-chloro-N-[4-[2-[2-fluoro-4-(3-oxomorpholin-4-yl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

The InChIKey is CRAWJBIQJUSDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN4O4S2/c21-16-4-3-15(32-16)19(29)25-20-23-11(10-31-20)7-17(27)24-14-2-1-12(8-13(14)22)26-5-6-30-9-18(26)28/h1-4,8,10H,5-7,9H2,(H,24,27)(H,23,25,29).

What are the key properties of 5-chloro-N-[4-[2-[2-fluoro-4-(3-oxomorpholin-4-yl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

5-chloro-N-[4-[2-[2-fluoro-4-(3-oxomorpholin-4-yl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 494.96 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[4-[2-[2-fluoro-4-(3-oxomorpholin-4-yl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 59698858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).