(2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)propanamide;hydrochloride

C12H14ClN3OS — CID 153333164

IUPAC(2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)propanamide;hydrochloride
SMILESC[C@H](N)C(=O)Nc1nc(-c2ccccc2)cs1.Cl
InChIInChI=1S/C12H13N3OS.ClH/c1-8(13)11(16)15-12-14-10(7-17-12)9-5-3-2-4-6-9;/h2-8H,13H2,1H3,(H,14,15,16);1H/t8-;/m0./s1
InChIKeyDWPOTXFULAMFMQ-QRPNPIFTSA-N
MW283.78 g/mol
LogP2.52
Rot. Bonds3

About (2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)propanamide;hydrochloride

(2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)propanamide;hydrochloride (PubChem CID 153333164) has the molecular formula C12H14ClN3OS and a molecular weight of 283.78 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)propanamide;hydrochloride
PubChem CID153333164
Molecular FormulaC12H14ClN3OS
Molecular Weight283.78 g/mol
Exact Mass283.05
IUPAC Name(2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)propanamide;hydrochloride
SMILESC[C@H](N)C(=O)Nc1nc(-c2ccccc2)cs1.Cl
InChIInChI=1S/C12H13N3OS.ClH/c1-8(13)11(16)15-12-14-10(7-17-12)9-5-3-2-4-6-9;/h2-8H,13H2,1H3,(H,14,15,16);1H/t8-;/m0./s1
InChIKeyDWPOTXFULAMFMQ-QRPNPIFTSA-N
XLogP2.52
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
CID 139386677
2-methyl-3-(methylamino)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 119670232
(2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide
CID 139370957
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
(2S)-2-amino-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 119271226
N-[(2S)-4-methyl-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]pentan-2-yl]benzamide
CID 139386620
benzyl N-[(2R)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]carbamate
CID 1103584
[2-oxo-1-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] acetate
CID 3132918
2-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 4800922
(2S)-2-(4-fluorophenyl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 7228846
N-(4-phenyl-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenoxy)propanamide
CID 108769760
2-(4-phenylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19197557

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)propanamide;hydrochloride (CID 153333164) is (2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)propanamide;hydrochloride is C[C@H](N)C(=O)Nc1nc(-c2ccccc2)cs1.Cl.
What is the InChIKey of (2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)propanamide;hydrochloride?
The InChIKey is DWPOTXFULAMFMQ-QRPNPIFTSA-N. The full InChI is InChI=1S/C12H13N3OS.ClH/c1-8(13)11(16)15-12-14-10(7-17-12)9-5-3-2-4-6-9;/h2-8H,13H2,1H3,(H,14,15,16);1H/t8-;/m0./s1.
What are the key properties of (2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)propanamide;hydrochloride?
(2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)propanamide;hydrochloride has a molecular weight of 283.78 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)propanamide;hydrochloride is sourced from PubChem (CID 153333164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).