N-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylfuran-3-carboxamide

C17H14ClN3O3S — CID 47051848

About N-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylfuran-3-carboxamide

N-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylfuran-3-carboxamide (PubChem CID 47051848) has the molecular formula C17H14ClN3O3S and a molecular weight of 375.84 g/mol. Its IUPAC name is N-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylfuran-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylfuran-3-carboxamide
• PubChem CID: 47051848
• Molecular Formula: C17H14ClN3O3S
• Molecular Weight: 375.84 g/mol
• Exact Mass: 375.04
• IUPAC Name: N-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylfuran-3-carboxamide
• SMILES: Cc1occc1C(=O)NCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1
• InChI: InChI=1S/C17H14ClN3O3S/c1-10-13(6-7-24-10)16(23)19-8-15(22)21-17-20-14(9-25-17)11-2-4-12(18)5-3-11/h2-7,9H,8H2,1H3,(H,19,23)(H,20,21,22)
• InChIKey: VGUPMHFIQXIVRO-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 84.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.84
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylfuran-3-carboxamide?

The IUPAC name of N-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylfuran-3-carboxamide (CID 47051848) is N-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylfuran-3-carboxamide.

What is the SMILES notation for N-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylfuran-3-carboxamide?

The canonical SMILES for N-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)NCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1.

What is the InChIKey of N-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylfuran-3-carboxamide?

The InChIKey is VGUPMHFIQXIVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3S/c1-10-13(6-7-24-10)16(23)19-8-15(22)21-17-20-14(9-25-17)11-2-4-12(18)5-3-11/h2-7,9H,8H2,1H3,(H,19,23)(H,20,21,22).

What are the key properties of N-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylfuran-3-carboxamide?

N-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylfuran-3-carboxamide has a molecular weight of 375.84 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 47051848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).