N-butan-2-yl-2-[(3,4-dichlorobenzoyl)amino]-1,3-thiazole-4-carboxamide

C15H15Cl2N3O2S — CID 46113759

IUPACN-butan-2-yl-2-[(3,4-dichlorobenzoyl)amino]-1,3-thiazole-4-carboxamide
SMILESCCC(C)NC(=O)c1csc(NC(=O)c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C15H15Cl2N3O2S/c1-3-8(2)18-14(22)12-7-23-15(19-12)20-13(21)9-4-5-10(16)11(17)6-9/h4-8H,3H2,1-2H3,(H,18,22)(H,19,20,21)
InChIKeyUKYRWHPEMBAYNF-UHFFFAOYSA-N
MW372.28 g/mol
LogP4.23
Rot. Bonds5

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

N-butan-2-yl-2-[(3,4-dichlorobenzoyl)amino]-1,3-thiazole-4-carboxamide (PubChem CID 46113759) has the molecular formula C15H15Cl2N3O2S and a molecular weight of 372.28 g/mol. Its IUPAC name is N-butan-2-yl-2-[(3,4-dichlorobenzoyl)amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[(3,4-dichlorobenzoyl)amino]-1,3-thiazole-4-carboxamide
PubChem CID46113759
Molecular FormulaC15H15Cl2N3O2S
Molecular Weight372.28 g/mol
Exact Mass371.03
IUPAC NameN-butan-2-yl-2-[(3,4-dichlorobenzoyl)amino]-1,3-thiazole-4-carboxamide
SMILESCCC(C)NC(=O)c1csc(NC(=O)c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C15H15Cl2N3O2S/c1-3-8(2)18-14(22)12-7-23-15(19-12)20-13(21)9-4-5-10(16)11(17)6-9/h4-8H,3H2,1-2H3,(H,18,22)(H,19,20,21)
InChIKeyUKYRWHPEMBAYNF-UHFFFAOYSA-N
XLogP4.23
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.28
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,4-dichlorobenzoyl)amino]-N,N-dimethyl-1,3-thiazole-4-carboxamide
CID 46113781
3,4-dichloro-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
CID 46113807
N-butan-2-yl-2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948615
2-[(3,4-dichlorobenzoyl)amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide
CID 46113767
N-[4-(azepane-1-carbonyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide
CID 46113813
N-butan-2-yl-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948151
2-[(4-chlorobenzoyl)amino]-N-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide
CID 16915123
2-[(3,4-dichlorobenzoyl)amino]-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 46113825
3,4-dichloro-N-[(2S)-pentan-2-yl]benzamide
CID 879609
3,4-dichloro-N-[4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide
CID 46113810
3-chloro-N-[4-(chloromethyl)-1,3-thiazol-2-yl]-4-methylbenzamide
CID 63195472
4-N-butan-2-yl-2-N-(3,4-dichlorophenyl)pyridine-2,4-dicarboxamide
CID 109080107

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[(3,4-dichlorobenzoyl)amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-butan-2-yl-2-[(3,4-dichlorobenzoyl)amino]-1,3-thiazole-4-carboxamide (CID 46113759) is N-butan-2-yl-2-[(3,4-dichlorobenzoyl)amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-[(3,4-dichlorobenzoyl)amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-butan-2-yl-2-[(3,4-dichlorobenzoyl)amino]-1,3-thiazole-4-carboxamide is CCC(C)NC(=O)c1csc(NC(=O)c2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of N-butan-2-yl-2-[(3,4-dichlorobenzoyl)amino]-1,3-thiazole-4-carboxamide?
The InChIKey is UKYRWHPEMBAYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O2S/c1-3-8(2)18-14(22)12-7-23-15(19-12)20-13(21)9-4-5-10(16)11(17)6-9/h4-8H,3H2,1-2H3,(H,18,22)(H,19,20,21).
What are the key properties of N-butan-2-yl-2-[(3,4-dichlorobenzoyl)amino]-1,3-thiazole-4-carboxamide?
N-butan-2-yl-2-[(3,4-dichlorobenzoyl)amino]-1,3-thiazole-4-carboxamide has a molecular weight of 372.28 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[(3,4-dichlorobenzoyl)amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46113759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).