2-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpentanamide

C16H21N3O2S — CID 119713341

IUPAC2-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1nc(-c2ccccc2OC)cs1
InChIInChI=1S/C16H21N3O2S/c1-4-9-16(2,17)14(20)19-15-18-12(10-22-15)11-7-5-6-8-13(11)21-3/h5-8,10H,4,9,17H2,1-3H3,(H,18,19,20)
InChIKeyZAHSZAVFAKRZJS-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.27
Rot. Bonds6

About 2-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpentanamide

2-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpentanamide (PubChem CID 119713341) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpentanamide
PubChem CID119713341
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name2-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1nc(-c2ccccc2OC)cs1
InChIInChI=1S/C16H21N3O2S/c1-4-9-16(2,17)14(20)19-15-18-12(10-22-15)11-7-5-6-8-13(11)21-3/h5-8,10H,4,9,17H2,1-3H3,(H,18,19,20)
InChIKeyZAHSZAVFAKRZJS-UHFFFAOYSA-N
XLogP3.27
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,2,2-trifluoro-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19226274
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 4003372
2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid
CID 12689382
4-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 82033947
2-(2-tert-butylphenoxy)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19217769
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 155557257
2-amino-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)pentanamide
CID 60849111
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(methylamino)butanamide;hydrochloride
CID 119713306
trans-(1S,3S)-3-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 95859109
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1H-1,2,4-triazole-5-carboxamide
CID 46969790
2-(2,6-dichlorophenyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 171145197
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 39218983

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpentanamide?
The IUPAC name of 2-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpentanamide (CID 119713341) is 2-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpentanamide?
The canonical SMILES for 2-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpentanamide is CCCC(C)(N)C(=O)Nc1nc(-c2ccccc2OC)cs1.
What is the InChIKey of 2-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpentanamide?
The InChIKey is ZAHSZAVFAKRZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-4-9-16(2,17)14(20)19-15-18-12(10-22-15)11-7-5-6-8-13(11)21-3/h5-8,10H,4,9,17H2,1-3H3,(H,18,19,20).
What are the key properties of 2-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpentanamide?
2-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpentanamide has a molecular weight of 319.43 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpentanamide is sourced from PubChem (CID 119713341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).