(1S)-1-(2-methylsulfanyl-1,3-oxazol-4-yl)propan-1-amine;hydrochloride

C7H13ClN2OS — CID 66727512

IUPAC(1S)-1-(2-methylsulfanyl-1,3-oxazol-4-yl)propan-1-amine;hydrochloride
SMILESCC[C@H](N)c1coc(SC)n1.Cl
InChIInChI=1S/C7H12N2OS.ClH/c1-3-5(8)6-4-10-7(9-6)11-2;/h4-5H,3,8H2,1-2H3;1H/t5-;/m0./s1
InChIKeyZSDVRZSJLMZJCQ-JEDNCBNOSA-N
MW208.71 g/mol
LogP2.23
Rot. Bonds3

About (1S)-1-(2-methylsulfanyl-1,3-oxazol-4-yl)propan-1-amine;hydrochloride

(1S)-1-(2-methylsulfanyl-1,3-oxazol-4-yl)propan-1-amine;hydrochloride (PubChem CID 66727512) has the molecular formula C7H13ClN2OS and a molecular weight of 208.71 g/mol. Its IUPAC name is (1S)-1-(2-methylsulfanyl-1,3-oxazol-4-yl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(2-methylsulfanyl-1,3-oxazol-4-yl)propan-1-amine;hydrochloride
PubChem CID66727512
Molecular FormulaC7H13ClN2OS
Molecular Weight208.71 g/mol
Exact Mass208.04
IUPAC Name(1S)-1-(2-methylsulfanyl-1,3-oxazol-4-yl)propan-1-amine;hydrochloride
SMILESCC[C@H](N)c1coc(SC)n1.Cl
InChIInChI=1S/C7H12N2OS.ClH/c1-3-5(8)6-4-10-7(9-6)11-2;/h4-5H,3,8H2,1-2H3;1H/t5-;/m0./s1
InChIKeyZSDVRZSJLMZJCQ-JEDNCBNOSA-N
XLogP2.23
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.71
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-methylsulfanyl-1,3-oxazol-4-yl)propan-1-amine;hydrochloride?
The IUPAC name of (1S)-1-(2-methylsulfanyl-1,3-oxazol-4-yl)propan-1-amine;hydrochloride (CID 66727512) is (1S)-1-(2-methylsulfanyl-1,3-oxazol-4-yl)propan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-(2-methylsulfanyl-1,3-oxazol-4-yl)propan-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-(2-methylsulfanyl-1,3-oxazol-4-yl)propan-1-amine;hydrochloride is CC[C@H](N)c1coc(SC)n1.Cl.
What is the InChIKey of (1S)-1-(2-methylsulfanyl-1,3-oxazol-4-yl)propan-1-amine;hydrochloride?
The InChIKey is ZSDVRZSJLMZJCQ-JEDNCBNOSA-N. The full InChI is InChI=1S/C7H12N2OS.ClH/c1-3-5(8)6-4-10-7(9-6)11-2;/h4-5H,3,8H2,1-2H3;1H/t5-;/m0./s1.
What are the key properties of (1S)-1-(2-methylsulfanyl-1,3-oxazol-4-yl)propan-1-amine;hydrochloride?
(1S)-1-(2-methylsulfanyl-1,3-oxazol-4-yl)propan-1-amine;hydrochloride has a molecular weight of 208.71 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-methylsulfanyl-1,3-oxazol-4-yl)propan-1-amine;hydrochloride is sourced from PubChem (CID 66727512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).