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

C19H25N3O2S — CID 11291338

IUPAC(2S)-2-amino-N-[5-[2-(cyclohexyloxymethyl)phenyl]-1,3-thiazol-2-yl]propanamide
SMILESC[C@H](N)C(=O)Nc1ncc(-c2ccccc2COC2CCCCC2)s1
InChIInChI=1S/C19H25N3O2S/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)/t13-/m0/s1
InChIKeyLFSMSJLSPWMYPW-ZDUSSCGKSA-N
MW359.50 g/mol
LogP3.95
Rot. Bonds6

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

(2S)-2-amino-N-[5-[2-(cyclohexyloxymethyl)phenyl]-1,3-thiazol-2-yl]propanamide (PubChem CID 11291338) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is (2S)-2-amino-N-[5-[2-(cyclohexyloxymethyl)phenyl]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[5-[2-(cyclohexyloxymethyl)phenyl]-1,3-thiazol-2-yl]propanamide
PubChem CID11291338
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name(2S)-2-amino-N-[5-[2-(cyclohexyloxymethyl)phenyl]-1,3-thiazol-2-yl]propanamide
SMILESC[C@H](N)C(=O)Nc1ncc(-c2ccccc2COC2CCCCC2)s1
InChIInChI=1S/C19H25N3O2S/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)/t13-/m0/s1
InChIKeyLFSMSJLSPWMYPW-ZDUSSCGKSA-N
XLogP3.95
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.95
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;hydrochloride
CID 87747382
(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
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
(2R)-2-amino-N-(5-ethyl-1,3-thiazol-2-yl)propanamide;hydrochloride
CID 130680042
(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
(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
(2S)-N-[1-[[5-[2-[(2,6-dimethylphenoxy)methyl]phenyl]-1,3-thiazol-2-yl]amino]-1-oxopentan-2-yl]-2-hydroxy-3,3-dimethylbutanamide
CID 140500429

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[5-[2-(cyclohexyloxymethyl)phenyl]-1,3-thiazol-2-yl]propanamide?
The IUPAC name of (2S)-2-amino-N-[5-[2-(cyclohexyloxymethyl)phenyl]-1,3-thiazol-2-yl]propanamide (CID 11291338) is (2S)-2-amino-N-[5-[2-(cyclohexyloxymethyl)phenyl]-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[5-[2-(cyclohexyloxymethyl)phenyl]-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[5-[2-(cyclohexyloxymethyl)phenyl]-1,3-thiazol-2-yl]propanamide is C[C@H](N)C(=O)Nc1ncc(-c2ccccc2COC2CCCCC2)s1.
What is the InChIKey of (2S)-2-amino-N-[5-[2-(cyclohexyloxymethyl)phenyl]-1,3-thiazol-2-yl]propanamide?
The InChIKey is LFSMSJLSPWMYPW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H25N3O2S/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)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-[5-[2-(cyclohexyloxymethyl)phenyl]-1,3-thiazol-2-yl]propanamide?
(2S)-2-amino-N-[5-[2-(cyclohexyloxymethyl)phenyl]-1,3-thiazol-2-yl]propanamide has a molecular weight of 359.50 g/mol, XLogP of 3.95, 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 is sourced from PubChem (CID 11291338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).