N-butan-2-yl-2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide

C15H17ClN4O2S — CID 16948615

IUPACN-butan-2-yl-2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
SMILESCCC(C)NC(=O)c1csc(NC(=O)Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C15H17ClN4O2S/c1-3-9(2)17-13(21)12-8-23-15(19-12)20-14(22)18-11-6-4-10(16)5-7-11/h4-9H,3H2,1-2H3,(H,17,21)(H2,18,19,20,22)
InChIKeyXOLMIERQEDNAQV-UHFFFAOYSA-N
MW352.85 g/mol
LogP3.97
Rot. Bonds5

About N-butan-2-yl-2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide

N-butan-2-yl-2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide (PubChem CID 16948615) has the molecular formula C15H17ClN4O2S and a molecular weight of 352.85 g/mol. Its IUPAC name is N-butan-2-yl-2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
PubChem CID16948615
Molecular FormulaC15H17ClN4O2S
Molecular Weight352.85 g/mol
Exact Mass352.08
IUPAC NameN-butan-2-yl-2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
SMILESCCC(C)NC(=O)c1csc(NC(=O)Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C15H17ClN4O2S/c1-3-9(2)17-13(21)12-8-23-15(19-12)20-14(22)18-11-6-4-10(16)5-7-11/h4-9H,3H2,1-2H3,(H,17,21)(H2,18,19,20,22)
InChIKeyXOLMIERQEDNAQV-UHFFFAOYSA-N
XLogP3.97
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.85
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-butan-2-yl-2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butan-2-yl-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948151
2-[(4-chlorophenyl)carbamoylamino]-N-(3,5-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 16948686
2-[(4-chlorophenyl)carbamoylamino]-N-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide
CID 16948678
N-[(2S)-butan-2-yl]-2-[[(4-chlorophenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxamide
CID 1199385
N-butan-2-yl-2-[(3,4-dichlorobenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 46113759
2-[(4-chlorophenyl)carbamoylamino]-N-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 16948687
N-[(2S)-butan-2-yl]-2-[(4-chlorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 93158607
2-[(4-chlorophenyl)carbamoylamino]-N-(3-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide
CID 16948727
2-[(4-chlorobenzoyl)amino]-N-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 16915105
N-(4-ethylphenyl)-2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948969
N-(3-chloro-4-fluorophenyl)-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948370
N-(2-methylpropyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948150

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-butan-2-yl-2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide (CID 16948615) is N-butan-2-yl-2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-butan-2-yl-2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide is CCC(C)NC(=O)c1csc(NC(=O)Nc2ccc(Cl)cc2)n1.
What is the InChIKey of N-butan-2-yl-2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide?
The InChIKey is XOLMIERQEDNAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2S/c1-3-9(2)17-13(21)12-8-23-15(19-12)20-14(22)18-11-6-4-10(16)5-7-11/h4-9H,3H2,1-2H3,(H,17,21)(H2,18,19,20,22).
What are the key properties of N-butan-2-yl-2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide?
N-butan-2-yl-2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide has a molecular weight of 352.85 g/mol, XLogP of 3.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16948615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).