(2S)-2-amino-N-[5-[2-(cyclohexyloxymethyl)phenyl]-1,3-thiazol-2-yl]propanamide;hydrochloride

C19H26ClN3O2S — CID 87747382

IUPAC(2S)-2-amino-N-[5-[2-(cyclohexyloxymethyl)phenyl]-1,3-thiazol-2-yl]propanamide;hydrochloride
SMILESC[C@H](N)C(=O)Nc1ncc(-c2ccccc2COC2CCCCC2)s1.Cl
InChIInChI=1S/C19H25N3O2S.ClH/c1-13(20)18(23)22-19-21-11-17(25-19)16-10-6-5-7-14(16)12-24-15-8-3-2-4-9-15;/h5-7,10-11,13,15H,2-4,8-9,12,20H2,1H3,(H,21,22,23);1H/t13-;/m0./s1
InChIKeyYHBOUGTYHZVGON-ZOWNYOTGSA-N
MW395.96 g/mol
LogP4.37
Rot. Bonds6

About (2S)-2-amino-N-[5-[2-(cyclohexyloxymethyl)phenyl]-1,3-thiazol-2-yl]propanamide;hydrochloride

(2S)-2-amino-N-[5-[2-(cyclohexyloxymethyl)phenyl]-1,3-thiazol-2-yl]propanamide;hydrochloride (PubChem CID 87747382) has the molecular formula C19H26ClN3O2S and a molecular weight of 395.96 g/mol. Its IUPAC name is (2S)-2-amino-N-[5-[2-(cyclohexyloxymethyl)phenyl]-1,3-thiazol-2-yl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[5-[2-(cyclohexyloxymethyl)phenyl]-1,3-thiazol-2-yl]propanamide;hydrochloride
PubChem CID87747382
Molecular FormulaC19H26ClN3O2S
Molecular Weight395.96 g/mol
Exact Mass395.14
IUPAC Name(2S)-2-amino-N-[5-[2-(cyclohexyloxymethyl)phenyl]-1,3-thiazol-2-yl]propanamide;hydrochloride
SMILESC[C@H](N)C(=O)Nc1ncc(-c2ccccc2COC2CCCCC2)s1.Cl
InChIInChI=1S/C19H25N3O2S.ClH/c1-13(20)18(23)22-19-21-11-17(25-19)16-10-6-5-7-14(16)12-24-15-8-3-2-4-9-15;/h5-7,10-11,13,15H,2-4,8-9,12,20H2,1H3,(H,21,22,23);1H/t13-;/m0./s1
InChIKeyYHBOUGTYHZVGON-ZOWNYOTGSA-N
XLogP4.37
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.96
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-[5-[2-(cyclohexyloxymethyl)phenyl]-1,3-thiazol-2-yl]propanamide
CID 11291338
(2S)-N-[5-[2-(cyclohexyloxymethyl)phenyl]-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)-2-oxoacetyl]amino]propanamide
CID 87748213
(2S)-N-[5-[2-(cyclohexyloxymethyl)phenyl]-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)-2-oxoacetyl]amino]pentanamide
CID 87747397
(2S)-2-amino-N-[4-(cyclopentyloxymethyl)phenyl]propanamide
CID 119330095
N-[5-[2-(cyclohexyloxymethyl)phenyl]-4-methyl-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanamide
CID 87747186
(2R)-2-amino-N-(5-ethyl-1,3-thiazol-2-yl)propanamide;hydrochloride
CID 130680042
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-[2-(methoxymethyl)phenyl]-1,3-thiazol-2-yl]propanamide
CID 87748843
(2S)-N-[5-[2-(cyclohexyloxymethyl)phenyl]-4-ethyl-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
CID 87748588
(2S)-N-[5-[2-(cyclohexyloxymethyl)phenyl]-4-methyl-1,3-thiazol-2-yl]-2-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]pentanamide
CID 87747182
(2R)-2-amino-N-(2-cycloheptyloxyethyl)propanamide;hydrochloride
CID 119325372
(2S)-3-ethyl-2-hydroxy-N-[1-oxo-1-[[5-[2-(phenoxymethyl)phenyl]-1,3-thiazol-2-yl]amino]pentan-2-yl]pentanamide
CID 91406685
(2R)-3-ethyl-2-hydroxy-N-[1-oxo-1-[[5-[2-(phenoxymethyl)phenyl]-1,3-thiazol-2-yl]amino]pentan-2-yl]pentanamide
CID 91463263

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[5-[2-(cyclohexyloxymethyl)phenyl]-1,3-thiazol-2-yl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[5-[2-(cyclohexyloxymethyl)phenyl]-1,3-thiazol-2-yl]propanamide;hydrochloride (CID 87747382) is (2S)-2-amino-N-[5-[2-(cyclohexyloxymethyl)phenyl]-1,3-thiazol-2-yl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[5-[2-(cyclohexyloxymethyl)phenyl]-1,3-thiazol-2-yl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[5-[2-(cyclohexyloxymethyl)phenyl]-1,3-thiazol-2-yl]propanamide;hydrochloride is C[C@H](N)C(=O)Nc1ncc(-c2ccccc2COC2CCCCC2)s1.Cl.
What is the InChIKey of (2S)-2-amino-N-[5-[2-(cyclohexyloxymethyl)phenyl]-1,3-thiazol-2-yl]propanamide;hydrochloride?
The InChIKey is YHBOUGTYHZVGON-ZOWNYOTGSA-N. The full InChI is InChI=1S/C19H25N3O2S.ClH/c1-13(20)18(23)22-19-21-11-17(25-19)16-10-6-5-7-14(16)12-24-15-8-3-2-4-9-15;/h5-7,10-11,13,15H,2-4,8-9,12,20H2,1H3,(H,21,22,23);1H/t13-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[5-[2-(cyclohexyloxymethyl)phenyl]-1,3-thiazol-2-yl]propanamide;hydrochloride?
(2S)-2-amino-N-[5-[2-(cyclohexyloxymethyl)phenyl]-1,3-thiazol-2-yl]propanamide;hydrochloride has a molecular weight of 395.96 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[5-[2-(cyclohexyloxymethyl)phenyl]-1,3-thiazol-2-yl]propanamide;hydrochloride is sourced from PubChem (CID 87747382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).