2-[acetyl(furan-2-ylmethyl)amino]-N-(4-chlorophenyl)-5-methyl-1,3-thiazole-4-carboxamide

C18H16ClN3O3S — CID 1079280

IUPAC2-[acetyl(furan-2-ylmethyl)amino]-N-(4-chlorophenyl)-5-methyl-1,3-thiazole-4-carboxamide
SMILESCC(=O)N(Cc1ccco1)c1nc(C(=O)Nc2ccc(Cl)cc2)c(C)s1
InChIInChI=1S/C18H16ClN3O3S/c1-11-16(17(24)20-14-7-5-13(19)6-8-14)21-18(26-11)22(12(2)23)10-15-4-3-9-25-15/h3-9H,10H2,1-2H3,(H,20,24)
InChIKeyFNJAPGWTSONLMK-UHFFFAOYSA-N
MW389.86 g/mol
LogP4.50
Rot. Bonds5

About 2-[acetyl(furan-2-ylmethyl)amino]-N-(4-chlorophenyl)-5-methyl-1,3-thiazole-4-carboxamide

2-[acetyl(furan-2-ylmethyl)amino]-N-(4-chlorophenyl)-5-methyl-1,3-thiazole-4-carboxamide (PubChem CID 1079280) has the molecular formula C18H16ClN3O3S and a molecular weight of 389.86 g/mol. Its IUPAC name is 2-[acetyl(furan-2-ylmethyl)amino]-N-(4-chlorophenyl)-5-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[acetyl(furan-2-ylmethyl)amino]-N-(4-chlorophenyl)-5-methyl-1,3-thiazole-4-carboxamide
PubChem CID1079280
Molecular FormulaC18H16ClN3O3S
Molecular Weight389.86 g/mol
Exact Mass389.06
IUPAC Name2-[acetyl(furan-2-ylmethyl)amino]-N-(4-chlorophenyl)-5-methyl-1,3-thiazole-4-carboxamide
SMILESCC(=O)N(Cc1ccco1)c1nc(C(=O)Nc2ccc(Cl)cc2)c(C)s1
InChIInChI=1S/C18H16ClN3O3S/c1-11-16(17(24)20-14-7-5-13(19)6-8-14)21-18(26-11)22(12(2)23)10-15-4-3-9-25-15/h3-9H,10H2,1-2H3,(H,20,24)
InChIKeyFNJAPGWTSONLMK-UHFFFAOYSA-N
XLogP4.50
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(furan-2-ylmethyl)amino]-N-(4-chlorophenyl)-5-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[acetyl(furan-2-ylmethyl)amino]-N-(4-chlorophenyl)-5-methyl-1,3-thiazole-4-carboxamide (CID 1079280) is 2-[acetyl(furan-2-ylmethyl)amino]-N-(4-chlorophenyl)-5-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[acetyl(furan-2-ylmethyl)amino]-N-(4-chlorophenyl)-5-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[acetyl(furan-2-ylmethyl)amino]-N-(4-chlorophenyl)-5-methyl-1,3-thiazole-4-carboxamide is CC(=O)N(Cc1ccco1)c1nc(C(=O)Nc2ccc(Cl)cc2)c(C)s1.
What is the InChIKey of 2-[acetyl(furan-2-ylmethyl)amino]-N-(4-chlorophenyl)-5-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is FNJAPGWTSONLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3S/c1-11-16(17(24)20-14-7-5-13(19)6-8-14)21-18(26-11)22(12(2)23)10-15-4-3-9-25-15/h3-9H,10H2,1-2H3,(H,20,24).
What are the key properties of 2-[acetyl(furan-2-ylmethyl)amino]-N-(4-chlorophenyl)-5-methyl-1,3-thiazole-4-carboxamide?
2-[acetyl(furan-2-ylmethyl)amino]-N-(4-chlorophenyl)-5-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 389.86 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(furan-2-ylmethyl)amino]-N-(4-chlorophenyl)-5-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 1079280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).