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

C12H13N3O2S — CID 65199378

IUPACN-(2-amino-4-methoxyphenyl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2csc(C)n2)c(N)c1
InChIInChI=1S/C12H13N3O2S/c1-7-14-11(6-18-7)12(16)15-10-4-3-8(17-2)5-9(10)13/h3-6H,13H2,1-2H3,(H,15,16)
InChIKeyXUJWTDODIQPCQQ-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.29
Rot. Bonds3

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

N-(2-amino-4-methoxyphenyl)-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 65199378) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is N-(2-amino-4-methoxyphenyl)-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-methoxyphenyl)-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID65199378
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC NameN-(2-amino-4-methoxyphenyl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2csc(C)n2)c(N)c1
InChIInChI=1S/C12H13N3O2S/c1-7-14-11(6-18-7)12(16)15-10-4-3-8(17-2)5-9(10)13/h3-6H,13H2,1-2H3,(H,15,16)
InChIKeyXUJWTDODIQPCQQ-UHFFFAOYSA-N
XLogP2.29
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-4-methoxyphenyl)carbamic acid
CID 22317519
N-(2-amino-4-methoxyphenyl)-3,4-dichlorobenzamide
CID 16777237
N-(4-amino-2-bromophenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65199281
N-(2-amino-4-methoxyphenyl)pyridine-4-carboxamide
CID 16776915
N-(2-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 26721200
N-(2-amino-4-methoxyphenyl)pyrimidine-5-carboxamide
CID 102921224
5-hydroxy-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]benzoic acid
CID 65199858
N-(2-amino-4-methoxyphenyl)naphthalene-2-carboxamide
CID 16775616
N-[4-amino-2-(trifluoromethyl)phenyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 65199742
N-(3-amino-4-methylphenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65199836
N-(2-amino-4-methoxyphenyl)-5-chloro-2-methoxybenzamide
CID 29274206
N-(2,5-dimethoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 110409324

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methoxyphenyl)-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-amino-4-methoxyphenyl)-2-methyl-1,3-thiazole-4-carboxamide (CID 65199378) is N-(2-amino-4-methoxyphenyl)-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-4-methoxyphenyl)-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-amino-4-methoxyphenyl)-2-methyl-1,3-thiazole-4-carboxamide is COc1ccc(NC(=O)c2csc(C)n2)c(N)c1.
What is the InChIKey of N-(2-amino-4-methoxyphenyl)-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is XUJWTDODIQPCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-7-14-11(6-18-7)12(16)15-10-4-3-8(17-2)5-9(10)13/h3-6H,13H2,1-2H3,(H,15,16).
What are the key properties of N-(2-amino-4-methoxyphenyl)-2-methyl-1,3-thiazole-4-carboxamide?
N-(2-amino-4-methoxyphenyl)-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 263.32 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methoxyphenyl)-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 65199378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).