N-(2-amino-5-methoxyphenyl)-2-methyl-1,3-thiazole-5-carboxamide

C12H13N3O2S — CID 103805177

IUPACN-(2-amino-5-methoxyphenyl)-2-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(N)c(NC(=O)c2cnc(C)s2)c1
InChIInChI=1S/C12H13N3O2S/c1-7-14-6-11(18-7)12(16)15-10-5-8(17-2)3-4-9(10)13/h3-6H,13H2,1-2H3,(H,15,16)
InChIKeyRSPRYIBINIRIRV-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.29
Rot. Bonds3

About N-(2-amino-5-methoxyphenyl)-2-methyl-1,3-thiazole-5-carboxamide

N-(2-amino-5-methoxyphenyl)-2-methyl-1,3-thiazole-5-carboxamide (PubChem CID 103805177) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is N-(2-amino-5-methoxyphenyl)-2-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-methoxyphenyl)-2-methyl-1,3-thiazole-5-carboxamide
PubChem CID103805177
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC NameN-(2-amino-5-methoxyphenyl)-2-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(N)c(NC(=O)c2cnc(C)s2)c1
InChIInChI=1S/C12H13N3O2S/c1-7-14-6-11(18-7)12(16)15-10-5-8(17-2)3-4-9(10)13/h3-6H,13H2,1-2H3,(H,15,16)
InChIKeyRSPRYIBINIRIRV-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

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2-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methoxyphenyl)-2-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-amino-5-methoxyphenyl)-2-methyl-1,3-thiazole-5-carboxamide (CID 103805177) is N-(2-amino-5-methoxyphenyl)-2-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-amino-5-methoxyphenyl)-2-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-amino-5-methoxyphenyl)-2-methyl-1,3-thiazole-5-carboxamide is COc1ccc(N)c(NC(=O)c2cnc(C)s2)c1.
What is the InChIKey of N-(2-amino-5-methoxyphenyl)-2-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is RSPRYIBINIRIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-7-14-6-11(18-7)12(16)15-10-5-8(17-2)3-4-9(10)13/h3-6H,13H2,1-2H3,(H,15,16).
What are the key properties of N-(2-amino-5-methoxyphenyl)-2-methyl-1,3-thiazole-5-carboxamide?
N-(2-amino-5-methoxyphenyl)-2-methyl-1,3-thiazole-5-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-5-methoxyphenyl)-2-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 103805177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).