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

C9H16ClN3OS — CID 119331534

IUPAC(2S)-2-amino-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide;hydrochloride
SMILESCCN(C(=O)[C@H](C)N)c1nc(C)cs1.Cl
InChIInChI=1S/C9H15N3OS.ClH/c1-4-12(8(13)7(3)10)9-11-6(2)5-14-9;/h5,7H,4,10H2,1-3H3;1H/t7-;/m0./s1
InChIKeyOBRYFQFUFICPOP-FJXQXJEOSA-N
MW249.77 g/mol
LogP1.57
Rot. Bonds3

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

(2S)-2-amino-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide;hydrochloride (PubChem CID 119331534) has the molecular formula C9H16ClN3OS and a molecular weight of 249.77 g/mol. Its IUPAC name is (2S)-2-amino-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide;hydrochloride
PubChem CID119331534
Molecular FormulaC9H16ClN3OS
Molecular Weight249.77 g/mol
Exact Mass249.07
IUPAC Name(2S)-2-amino-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide;hydrochloride
SMILESCCN(C(=O)[C@H](C)N)c1nc(C)cs1.Cl
InChIInChI=1S/C9H15N3OS.ClH/c1-4-12(8(13)7(3)10)9-11-6(2)5-14-9;/h5,7H,4,10H2,1-3H3;1H/t7-;/m0./s1
InChIKeyOBRYFQFUFICPOP-FJXQXJEOSA-N
XLogP1.57
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.77
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide;hydrochloride
CID 119331544
3-amino-N-ethyl-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide;hydrochloride
CID 120501354
3-amino-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide;hydrochloride
CID 119951862
2-(4-aminophenyl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 119797578
3-(2-aminophenyl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide;hydrochloride
CID 120611119
N,N-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]propanamide
CID 61043134
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 119797595
(2R)-2-amino-N-ethyl-N-pyridin-4-ylpropanamide
CID 106935605
2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]acetamide
CID 89133877
ethyl 2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]acetate
CID 62007331
N-ethyl-2,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 71983946
3-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]-2-aminopropanoic acid
CID 43386119

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide;hydrochloride (CID 119331534) is (2S)-2-amino-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide;hydrochloride is CCN(C(=O)[C@H](C)N)c1nc(C)cs1.Cl.
What is the InChIKey of (2S)-2-amino-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide;hydrochloride?
The InChIKey is OBRYFQFUFICPOP-FJXQXJEOSA-N. The full InChI is InChI=1S/C9H15N3OS.ClH/c1-4-12(8(13)7(3)10)9-11-6(2)5-14-9;/h5,7H,4,10H2,1-3H3;1H/t7-;/m0./s1.
What are the key properties of (2S)-2-amino-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide;hydrochloride?
(2S)-2-amino-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide;hydrochloride has a molecular weight of 249.77 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide;hydrochloride is sourced from PubChem (CID 119331534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).