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

C9H16ClN3OS — CID 130620258

IUPAC(2R)-2-amino-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide;hydrochloride
SMILESCc1nc(C(C)NC(=O)[C@@H](C)N)cs1.Cl
InChIInChI=1S/C9H15N3OS.ClH/c1-5(10)9(13)11-6(2)8-4-14-7(3)12-8;/h4-6H,10H2,1-3H3,(H,11,13);1H/t5-,6?;/m1./s1
InChIKeyDTGSBRXQXUFZCL-VQALBSKCSA-N
MW249.77 g/mol
LogP1.40
Rot. Bonds3

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

(2R)-2-amino-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide;hydrochloride (PubChem CID 130620258) has the molecular formula C9H16ClN3OS and a molecular weight of 249.77 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide;hydrochloride
PubChem CID130620258
Molecular FormulaC9H16ClN3OS
Molecular Weight249.77 g/mol
Exact Mass249.07
IUPAC Name(2R)-2-amino-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide;hydrochloride
SMILESCc1nc(C(C)NC(=O)[C@@H](C)N)cs1.Cl
InChIInChI=1S/C9H15N3OS.ClH/c1-5(10)9(13)11-6(2)8-4-14-7(3)12-8;/h4-6H,10H2,1-3H3,(H,11,13);1H/t5-,6?;/m1./s1
InChIKeyDTGSBRXQXUFZCL-VQALBSKCSA-N
XLogP1.40
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.77
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]prop-2-enamide
CID 108737160
2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119875872
1-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-2-ol;dihydrochloride
CID 122156676
(1R,2S)-1-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 124505318
methyl (2S)-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanoate
CID 43723777
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-oxo-4-phenylbutanamide
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(2S)-2-amino-N-[1-(thiadiazol-4-yl)ethyl]propanamide
CID 131014905
4-chloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
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2-amino-N-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-propan-2-ylpyrimidine-4-carboxamide
CID 99992429
2-(4-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 108737207
(3R)-3-amino-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid
CID 55270490
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2H-triazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide;hydrochloride (CID 130620258) is (2R)-2-amino-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide;hydrochloride is Cc1nc(C(C)NC(=O)[C@@H](C)N)cs1.Cl.
What is the InChIKey of (2R)-2-amino-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide;hydrochloride?
The InChIKey is DTGSBRXQXUFZCL-VQALBSKCSA-N. The full InChI is InChI=1S/C9H15N3OS.ClH/c1-5(10)9(13)11-6(2)8-4-14-7(3)12-8;/h4-6H,10H2,1-3H3,(H,11,13);1H/t5-,6?;/m1./s1.
What are the key properties of (2R)-2-amino-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide;hydrochloride?
(2R)-2-amino-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide;hydrochloride has a molecular weight of 249.77 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 130620258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).