N-(4-amino-3-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxamide

C11H10ClN3OS — CID 82861418

IUPACN-(4-amino-3-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(N)c(Cl)c2)cs1
InChIInChI=1S/C11H10ClN3OS/c1-6-14-10(5-17-6)11(16)15-7-2-3-9(13)8(12)4-7/h2-5H,13H2,1H3,(H,15,16)
InChIKeyGMRXYHRTGAOMES-UHFFFAOYSA-N
MW267.74 g/mol
LogP2.94
Rot. Bonds2

About N-(4-amino-3-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxamide

N-(4-amino-3-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 82861418) has the molecular formula C11H10ClN3OS and a molecular weight of 267.74 g/mol. Its IUPAC name is N-(4-amino-3-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID82861418
Molecular FormulaC11H10ClN3OS
Molecular Weight267.74 g/mol
Exact Mass267.02
IUPAC NameN-(4-amino-3-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(N)c(Cl)c2)cs1
InChIInChI=1S/C11H10ClN3OS/c1-6-14-10(5-17-6)11(16)15-7-2-3-9(13)8(12)4-7/h2-5H,13H2,1H3,(H,15,16)
InChIKeyGMRXYHRTGAOMES-UHFFFAOYSA-N
XLogP2.94
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 52.94
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

N-(3-amino-4-methylphenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65199836
N-(4-amino-3-chlorophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 114034039
2-methyl-N-(4-methyl-3-sulfamoylphenyl)-1,3-thiazole-4-carboxamide
CID 47445064
2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 110465342
2-amino-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 62788368
(4-amino-3-chlorophenyl)carbamic acid
CID 18543733
ethyl 4-[(3,4-dichlorophenyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116697597
2-methyl-N-(2-methyl-1,3-dihydroisoindol-5-yl)-1,3-thiazole-4-carboxamide
CID 110465368
N-(4-amino-3-chlorophenyl)thiophene-3-carboxamide
CID 82862106
2-amino-N-(4-chloro-3-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 62787524
N-(4-amino-3-chlorophenyl)-6-methylpyridine-3-carboxamide
CID 82862313
N-(2-methoxyquinolin-6-yl)-2-methyl-1,3-thiazole-4-carboxamide
CID 86883645

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-amino-3-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxamide (CID 82861418) is N-(4-amino-3-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-amino-3-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-amino-3-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)Nc2ccc(N)c(Cl)c2)cs1.
What is the InChIKey of N-(4-amino-3-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is GMRXYHRTGAOMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3OS/c1-6-14-10(5-17-6)11(16)15-7-2-3-9(13)8(12)4-7/h2-5H,13H2,1H3,(H,15,16).
What are the key properties of N-(4-amino-3-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxamide?
N-(4-amino-3-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 267.74 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 82861418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).