N-[3-[1-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide

C24H21N3O4S2 — CID 18899862

About N-[3-[1-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide

N-[3-[1-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide (PubChem CID 18899862) has the molecular formula C24H21N3O4S2 and a molecular weight of 479.58 g/mol. Its IUPAC name is N-[3-[1-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[1-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide
• PubChem CID: 18899862
• Molecular Formula: C24H21N3O4S2
• Molecular Weight: 479.58 g/mol
• Exact Mass: 479.10
• IUPAC Name: N-[3-[1-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide
• SMILES: COc1ccc(-c2csc(NC(=O)C(C)Sc3cccc(NC(=O)c4ccco4)c3)n2)cc1
• InChI: InChI=1S/C24H21N3O4S2/c1-15(33-19-6-3-5-17(13-19)25-23(29)21-7-4-12-31-21)22(28)27-24-26-20(14-32-24)16-8-10-18(30-2)11-9-16/h3-15H,1-2H3,(H,25,29)(H,26,27,28)
• InChIKey: KKJZECDMBKIJKV-UHFFFAOYSA-N
• XLogP: 5.78
• TPSA: 93.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.58
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide?

The IUPAC name of N-[3-[1-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide (CID 18899862) is N-[3-[1-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide.

What is the SMILES notation for N-[3-[1-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide?

The canonical SMILES for N-[3-[1-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide is COc1ccc(-c2csc(NC(=O)C(C)Sc3cccc(NC(=O)c4ccco4)c3)n2)cc1.

What is the InChIKey of N-[3-[1-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide?

The InChIKey is KKJZECDMBKIJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4S2/c1-15(33-19-6-3-5-17(13-19)25-23(29)21-7-4-12-31-21)22(28)27-24-26-20(14-32-24)16-8-10-18(30-2)11-9-16/h3-15H,1-2H3,(H,25,29)(H,26,27,28).

What are the key properties of N-[3-[1-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide?

N-[3-[1-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide has a molecular weight of 479.58 g/mol, XLogP of 5.78, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[1-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide is sourced from PubChem (CID 18899862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).