N-[4-[2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

C21H18N4O4S2 — CID 43018419

About N-[4-[2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

N-[4-[2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 43018419) has the molecular formula C21H18N4O4S2 and a molecular weight of 454.53 g/mol. Its IUPAC name is N-[4-[2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
• PubChem CID: 43018419
• Molecular Formula: C21H18N4O4S2
• Molecular Weight: 454.53 g/mol
• Exact Mass: 454.08
• IUPAC Name: N-[4-[2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
• SMILES: COc1ccc(-c2nc(NC(=O)Cc3csc(NC(=O)c4ccco4)n3)sc2C)cc1
• InChI: InChI=1S/C21H18N4O4S2/c1-12-18(13-5-7-15(28-2)8-6-13)24-21(31-12)23-17(26)10-14-11-30-20(22-14)25-19(27)16-4-3-9-29-16/h3-9,11H,10H2,1-2H3,(H,22,25,27)(H,23,24,26)
• InChIKey: DWTSFUHIXAOSBV-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 106.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.53
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?

The IUPAC name of N-[4-[2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (CID 43018419) is N-[4-[2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

What is the SMILES notation for N-[4-[2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?

The canonical SMILES for N-[4-[2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is COc1ccc(-c2nc(NC(=O)Cc3csc(NC(=O)c4ccco4)n3)sc2C)cc1.

What is the InChIKey of N-[4-[2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?

The InChIKey is DWTSFUHIXAOSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4S2/c1-12-18(13-5-7-15(28-2)8-6-13)24-21(31-12)23-17(26)10-14-11-30-20(22-14)25-19(27)16-4-3-9-29-16/h3-9,11H,10H2,1-2H3,(H,22,25,27)(H,23,24,26).

What are the key properties of N-[4-[2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?

N-[4-[2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 454.53 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 43018419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).