2-amino-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]pentanamide;hydrochloride

C16H22ClN3O2S — CID 119273540

IUPAC2-amino-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)Nc1nc(-c2cc(C)ccc2OC)cs1.Cl
InChIInChI=1S/C16H21N3O2S.ClH/c1-4-5-12(17)15(20)19-16-18-13(9-22-16)11-8-10(2)6-7-14(11)21-3;/h6-9,12H,4-5,17H2,1-3H3,(H,18,19,20);1H
InChIKeyXTDFYBRWGYSUDY-UHFFFAOYSA-N
MW355.89 g/mol
LogP3.61
Rot. Bonds6

About 2-amino-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]pentanamide;hydrochloride

2-amino-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]pentanamide;hydrochloride (PubChem CID 119273540) has the molecular formula C16H22ClN3O2S and a molecular weight of 355.89 g/mol. Its IUPAC name is 2-amino-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]pentanamide;hydrochloride
PubChem CID119273540
Molecular FormulaC16H22ClN3O2S
Molecular Weight355.89 g/mol
Exact Mass355.11
IUPAC Name2-amino-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)Nc1nc(-c2cc(C)ccc2OC)cs1.Cl
InChIInChI=1S/C16H21N3O2S.ClH/c1-4-5-12(17)15(20)19-16-18-13(9-22-16)11-8-10(2)6-7-14(11)21-3;/h6-9,12H,4-5,17H2,1-3H3,(H,18,19,20);1H
InChIKeyXTDFYBRWGYSUDY-UHFFFAOYSA-N
XLogP3.61
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.89
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbutanamide;hydrochloride
CID 119956001
(2S)-2-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide;hydrochloride
CID 119283859
1-amino-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119273536
(2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide
CID 139370957
methyl 4-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]benzoate
CID 26723703
(2S)-2-amino-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3,3-dimethylbutanamide
CID 119679944
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 26723539
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide
CID 42994672
2-amino-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]pentanamide;hydrochloride
CID 119264520
ethyl 2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetate
CID 28942120
2-(2-fluorophenyl)sulfanyl-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 26723728
4-(diethylaminomethyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 43070034

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]pentanamide;hydrochloride (CID 119273540) is 2-amino-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]pentanamide;hydrochloride is CCCC(N)C(=O)Nc1nc(-c2cc(C)ccc2OC)cs1.Cl.
What is the InChIKey of 2-amino-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]pentanamide;hydrochloride?
The InChIKey is XTDFYBRWGYSUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S.ClH/c1-4-5-12(17)15(20)19-16-18-13(9-22-16)11-8-10(2)6-7-14(11)21-3;/h6-9,12H,4-5,17H2,1-3H3,(H,18,19,20);1H.
What are the key properties of 2-amino-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]pentanamide;hydrochloride?
2-amino-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]pentanamide;hydrochloride has a molecular weight of 355.89 g/mol, XLogP of 3.61, 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-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]pentanamide;hydrochloride is sourced from PubChem (CID 119273540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).