3-amino-4-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide

C13H14ClN3OS — CID 61479829

IUPAC3-amino-4-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCC(C)c1csc(NC(=O)c2ccc(Cl)c(N)c2)n1
InChIInChI=1S/C13H14ClN3OS/c1-7(2)11-6-19-13(16-11)17-12(18)8-3-4-9(14)10(15)5-8/h3-7H,15H2,1-2H3,(H,16,17,18)
InChIKeyQKIMUASLAZFZFZ-UHFFFAOYSA-N
MW295.80 g/mol
LogP3.75
Rot. Bonds3

About 3-amino-4-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide

3-amino-4-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 61479829) has the molecular formula C13H14ClN3OS and a molecular weight of 295.80 g/mol. Its IUPAC name is 3-amino-4-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID61479829
Molecular FormulaC13H14ClN3OS
Molecular Weight295.80 g/mol
Exact Mass295.05
IUPAC Name3-amino-4-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCC(C)c1csc(NC(=O)c2ccc(Cl)c(N)c2)n1
InChIInChI=1S/C13H14ClN3OS/c1-7(2)11-6-19-13(16-11)17-12(18)8-3-4-9(14)10(15)5-8/h3-7H,15H2,1-2H3,(H,16,17,18)
InChIKeyQKIMUASLAZFZFZ-UHFFFAOYSA-N
XLogP3.75
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.80
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)-5-sulfanylbenzamide
CID 107025323
3-methyl-4-(methylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 63213843
N-(4-propan-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 61482478
2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 55115833
2-amino-5-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 61479537
3-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 18096314
N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 61482479
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide
CID 64555861
4-propan-2-ylsulfonyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 30715818
N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 46674238
2-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-dihydroindole-6-carboxamide
CID 102712241
N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 46674310

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-amino-4-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide (CID 61479829) is 3-amino-4-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-amino-4-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-amino-4-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide is CC(C)c1csc(NC(=O)c2ccc(Cl)c(N)c2)n1.
What is the InChIKey of 3-amino-4-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is QKIMUASLAZFZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3OS/c1-7(2)11-6-19-13(16-11)17-12(18)8-3-4-9(14)10(15)5-8/h3-7H,15H2,1-2H3,(H,16,17,18).
What are the key properties of 3-amino-4-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide?
3-amino-4-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 295.80 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 61479829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).