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

C17H15ClN4O3S — CID 16897454

IUPAC2-[(3-chlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)Nc2cccc(Cl)c2)sc1C(=O)NCc1ccco1
InChIInChI=1S/C17H15ClN4O3S/c1-10-14(15(23)19-9-13-6-3-7-25-13)26-17(20-10)22-16(24)21-12-5-2-4-11(18)8-12/h2-8H,9H2,1H3,(H,19,23)(H2,20,21,22,24)
InChIKeyLBVWFDCRQJPIAS-UHFFFAOYSA-N
MW390.85 g/mol
LogP4.27
Rot. Bonds5

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

2-[(3-chlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 16897454) has the molecular formula C17H15ClN4O3S and a molecular weight of 390.85 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID16897454
Molecular FormulaC17H15ClN4O3S
Molecular Weight390.85 g/mol
Exact Mass390.06
IUPAC Name2-[(3-chlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)Nc2cccc(Cl)c2)sc1C(=O)NCc1ccco1
InChIInChI=1S/C17H15ClN4O3S/c1-10-14(15(23)19-9-13-6-3-7-25-13)26-17(20-10)22-16(24)21-12-5-2-4-11(18)8-12/h2-8H,9H2,1H3,(H,19,23)(H2,20,21,22,24)
InChIKeyLBVWFDCRQJPIAS-UHFFFAOYSA-N
XLogP4.27
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.85
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(3-chlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 16897454) is 2-[(3-chlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(3-chlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(3-chlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)Nc2cccc(Cl)c2)sc1C(=O)NCc1ccco1.
What is the InChIKey of 2-[(3-chlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is LBVWFDCRQJPIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O3S/c1-10-14(15(23)19-9-13-6-3-7-25-13)26-17(20-10)22-16(24)21-12-5-2-4-11(18)8-12/h2-8H,9H2,1H3,(H,19,23)(H2,20,21,22,24).
What are the key properties of 2-[(3-chlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-[(3-chlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 390.85 g/mol, XLogP of 4.27, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 16897454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).