N-(5-amino-2-methylphenyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide

C15H19N3OS — CID 120569197

IUPACN-(5-amino-2-methylphenyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
SMILESCCCc1nc(C)c(C(=O)Nc2cc(N)ccc2C)s1
InChIInChI=1S/C15H19N3OS/c1-4-5-13-17-10(3)14(20-13)15(19)18-12-8-11(16)7-6-9(12)2/h6-8H,4-5,16H2,1-3H3,(H,18,19)
InChIKeyRMBCPAVHHUPXTF-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.55
Rot. Bonds4

About N-(5-amino-2-methylphenyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide

N-(5-amino-2-methylphenyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide (PubChem CID 120569197) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
PubChem CID120569197
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-(5-amino-2-methylphenyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
SMILESCCCc1nc(C)c(C(=O)Nc2cc(N)ccc2C)s1
InChIInChI=1S/C15H19N3OS/c1-4-5-13-17-10(3)14(20-13)15(19)18-12-8-11(16)7-6-9(12)2/h6-8H,4-5,16H2,1-3H3,(H,18,19)
InChIKeyRMBCPAVHHUPXTF-UHFFFAOYSA-N
XLogP3.55
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.55
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-(2-amino-5-methoxyphenyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
CID 119421156
4-methyl-3-[[4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carbonyl]amino]benzoic acid
CID 91644928
N-(5-acetamido-2-methylphenyl)-2-amino-4-methyl-1,3-thiazole-5-carboxamide
CID 62794259
4-methyl-N-(2-methylphenyl)-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389448
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
CID 55687015
N-(2-chloro-4-iodophenyl)-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide
CID 49325357
N'-[2-(2,5-dimethylphenoxy)acetyl]-4-methyl-2-propyl-1,3-thiazole-5-carbohydrazide
CID 55691433
4-methyl-N-[3-(methylamino)propyl]-2-propyl-1,3-thiazole-5-carboxamide
CID 119431660
N-(2,5-dimethylphenyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 16616326
4-methyl-N-(6-oxo-1-propyl-3-pyridinyl)-2-propyl-1,3-thiazole-5-carboxamide
CID 47066160
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120883217
ethyl 4-methyl-2-propyl-1,3-thiazole-5-carboxylate
CID 70144784

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide (CID 120569197) is N-(5-amino-2-methylphenyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide is CCCc1nc(C)c(C(=O)Nc2cc(N)ccc2C)s1.
What is the InChIKey of N-(5-amino-2-methylphenyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide?
The InChIKey is RMBCPAVHHUPXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-4-5-13-17-10(3)14(20-13)15(19)18-12-8-11(16)7-6-9(12)2/h6-8H,4-5,16H2,1-3H3,(H,18,19).
What are the key properties of N-(5-amino-2-methylphenyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide?
N-(5-amino-2-methylphenyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 120569197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).