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

C15H19N3O2S — CID 119421156

IUPACN-(2-amino-5-methoxyphenyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
SMILESCCCc1nc(C)c(C(=O)Nc2cc(OC)ccc2N)s1
InChIInChI=1S/C15H19N3O2S/c1-4-5-13-17-9(2)14(21-13)15(19)18-12-8-10(20-3)6-7-11(12)16/h6-8H,4-5,16H2,1-3H3,(H,18,19)
InChIKeyHOANKPWXZAEOQJ-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.25
Rot. Bonds5

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

N-(2-amino-5-methoxyphenyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide (PubChem CID 119421156) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(2-amino-5-methoxyphenyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-methoxyphenyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
PubChem CID119421156
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-(2-amino-5-methoxyphenyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
SMILESCCCc1nc(C)c(C(=O)Nc2cc(OC)ccc2N)s1
InChIInChI=1S/C15H19N3O2S/c1-4-5-13-17-9(2)14(21-13)15(19)18-12-8-10(20-3)6-7-11(12)16/h6-8H,4-5,16H2,1-3H3,(H,18,19)
InChIKeyHOANKPWXZAEOQJ-UHFFFAOYSA-N
XLogP3.25
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.25
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

N-(5-amino-2-methylphenyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
CID 120569197
N-(2-amino-5-methoxyphenyl)-4-propylthiadiazole-5-carboxamide
CID 65210587
N-(2-amino-5-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65210588
N-(2-amino-5-methoxyphenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 103805177
4-methyl-2-propyl-N-(4-pyrimidin-2-yloxyphenyl)-1,3-thiazole-5-carboxamide
CID 51122639
2-butyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55684953
N-(2-amino-5-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 63258266
N-(2-amino-5-methoxyphenyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204688
N-(2,5-dimethoxyphenyl)-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 46741085
N-(2-amino-5-methoxyphenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 66334365
2-(methoxymethyl)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 110374885
4-methyl-2-[(4-methylphenoxy)methyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 30587985

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methoxyphenyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-amino-5-methoxyphenyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide (CID 119421156) is N-(2-amino-5-methoxyphenyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-amino-5-methoxyphenyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-amino-5-methoxyphenyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide is CCCc1nc(C)c(C(=O)Nc2cc(OC)ccc2N)s1.
What is the InChIKey of N-(2-amino-5-methoxyphenyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide?
The InChIKey is HOANKPWXZAEOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-4-5-13-17-9(2)14(21-13)15(19)18-12-8-10(20-3)6-7-11(12)16/h6-8H,4-5,16H2,1-3H3,(H,18,19).
What are the key properties of N-(2-amino-5-methoxyphenyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide?
N-(2-amino-5-methoxyphenyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 3.25, 5 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)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 119421156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).