N-[4-(6-chloro-2,2-dimethylchromen-8-yl)-1,3-thiazol-2-yl]furan-2-carboxamide

C19H15ClN2O3S — CID 171780461

About N-[4-(6-chloro-2,2-dimethylchromen-8-yl)-1,3-thiazol-2-yl]furan-2-carboxamide

N-[4-(6-chloro-2,2-dimethylchromen-8-yl)-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 171780461) has the molecular formula C19H15ClN2O3S and a molecular weight of 386.86 g/mol. Its IUPAC name is N-[4-(6-chloro-2,2-dimethylchromen-8-yl)-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-(6-chloro-2,2-dimethylchromen-8-yl)-1,3-thiazol-2-yl]furan-2-carboxamide
• PubChem CID: 171780461
• Molecular Formula: C19H15ClN2O3S
• Molecular Weight: 386.86 g/mol
• Exact Mass: 386.05
• IUPAC Name: N-[4-(6-chloro-2,2-dimethylchromen-8-yl)-1,3-thiazol-2-yl]furan-2-carboxamide
• SMILES: CC1(C)C=Cc2cc(Cl)cc(-c3csc(NC(=O)c4ccco4)n3)c2O1
• InChI: InChI=1S/C19H15ClN2O3S/c1-19(2)6-5-11-8-12(20)9-13(16(11)25-19)14-10-26-18(21-14)22-17(23)15-4-3-7-24-15/h3-10H,1-2H3,(H,21,22,23)
• InChIKey: PFBLLUXQDRCYOK-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 64.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	386.86
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-chloro-2,2-dimethylchromen-8-yl)-1,3-thiazol-2-yl]furan-2-carboxamide?

The IUPAC name of N-[4-(6-chloro-2,2-dimethylchromen-8-yl)-1,3-thiazol-2-yl]furan-2-carboxamide (CID 171780461) is N-[4-(6-chloro-2,2-dimethylchromen-8-yl)-1,3-thiazol-2-yl]furan-2-carboxamide.

What is the SMILES notation for N-[4-(6-chloro-2,2-dimethylchromen-8-yl)-1,3-thiazol-2-yl]furan-2-carboxamide?

The canonical SMILES for N-[4-(6-chloro-2,2-dimethylchromen-8-yl)-1,3-thiazol-2-yl]furan-2-carboxamide is CC1(C)C=Cc2cc(Cl)cc(-c3csc(NC(=O)c4ccco4)n3)c2O1.

What is the InChIKey of N-[4-(6-chloro-2,2-dimethylchromen-8-yl)-1,3-thiazol-2-yl]furan-2-carboxamide?

The InChIKey is PFBLLUXQDRCYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O3S/c1-19(2)6-5-11-8-12(20)9-13(16(11)25-19)14-10-26-18(21-14)22-17(23)15-4-3-7-24-15/h3-10H,1-2H3,(H,21,22,23).

What are the key properties of N-[4-(6-chloro-2,2-dimethylchromen-8-yl)-1,3-thiazol-2-yl]furan-2-carboxamide?

N-[4-(6-chloro-2,2-dimethylchromen-8-yl)-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 386.86 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(6-chloro-2,2-dimethylchromen-8-yl)-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 171780461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).