(2R)-2-amino-N-(5-ethyl-1,3-thiazol-2-yl)propanamide;hydrochloride

C8H14ClN3OS — CID 130680042

IUPAC(2R)-2-amino-N-(5-ethyl-1,3-thiazol-2-yl)propanamide;hydrochloride
SMILESCCc1cnc(NC(=O)[C@@H](C)N)s1.Cl
InChIInChI=1S/C8H13N3OS.ClH/c1-3-6-4-10-8(13-6)11-7(12)5(2)9;/h4-5H,3,9H2,1-2H3,(H,10,11,12);1H/t5-;/m1./s1
InChIKeyBMTOGEUKOXYDRC-NUBCRITNSA-N
MW235.74 g/mol
LogP1.41
Rot. Bonds3

About (2R)-2-amino-N-(5-ethyl-1,3-thiazol-2-yl)propanamide;hydrochloride

(2R)-2-amino-N-(5-ethyl-1,3-thiazol-2-yl)propanamide;hydrochloride (PubChem CID 130680042) has the molecular formula C8H14ClN3OS and a molecular weight of 235.74 g/mol. Its IUPAC name is (2R)-2-amino-N-(5-ethyl-1,3-thiazol-2-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-(5-ethyl-1,3-thiazol-2-yl)propanamide;hydrochloride
PubChem CID130680042
Molecular FormulaC8H14ClN3OS
Molecular Weight235.74 g/mol
Exact Mass235.05
IUPAC Name(2R)-2-amino-N-(5-ethyl-1,3-thiazol-2-yl)propanamide;hydrochloride
SMILESCCc1cnc(NC(=O)[C@@H](C)N)s1.Cl
InChIInChI=1S/C8H13N3OS.ClH/c1-3-6-4-10-8(13-6)11-7(12)5(2)9;/h4-5H,3,9H2,1-2H3,(H,10,11,12);1H/t5-;/m1./s1
InChIKeyBMTOGEUKOXYDRC-NUBCRITNSA-N
XLogP1.41
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.74
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(5-ethyl-1,3-thiazol-2-yl)propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-(5-ethyl-1,3-thiazol-2-yl)propanamide;hydrochloride (CID 130680042) is (2R)-2-amino-N-(5-ethyl-1,3-thiazol-2-yl)propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-(5-ethyl-1,3-thiazol-2-yl)propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-(5-ethyl-1,3-thiazol-2-yl)propanamide;hydrochloride is CCc1cnc(NC(=O)[C@@H](C)N)s1.Cl.
What is the InChIKey of (2R)-2-amino-N-(5-ethyl-1,3-thiazol-2-yl)propanamide;hydrochloride?
The InChIKey is BMTOGEUKOXYDRC-NUBCRITNSA-N. The full InChI is InChI=1S/C8H13N3OS.ClH/c1-3-6-4-10-8(13-6)11-7(12)5(2)9;/h4-5H,3,9H2,1-2H3,(H,10,11,12);1H/t5-;/m1./s1.
What are the key properties of (2R)-2-amino-N-(5-ethyl-1,3-thiazol-2-yl)propanamide;hydrochloride?
(2R)-2-amino-N-(5-ethyl-1,3-thiazol-2-yl)propanamide;hydrochloride has a molecular weight of 235.74 g/mol, XLogP of 1.41, 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-(5-ethyl-1,3-thiazol-2-yl)propanamide;hydrochloride is sourced from PubChem (CID 130680042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).