3-amino-2-(2-chlorophenyl)-1-(2-methyl-1,3-thiazol-5-yl)propan-1-ol

C13H15ClN2OS — CID 114031467

IUPAC3-amino-2-(2-chlorophenyl)-1-(2-methyl-1,3-thiazol-5-yl)propan-1-ol
SMILESCc1ncc(C(O)C(CN)c2ccccc2Cl)s1
InChIInChI=1S/C13H15ClN2OS/c1-8-16-7-12(18-8)13(17)10(6-15)9-4-2-3-5-11(9)14/h2-5,7,10,13,17H,6,15H2,1H3
InChIKeyWNQQJSAEXNSKMD-UHFFFAOYSA-N
MW282.80 g/mol
LogP2.88
Rot. Bonds4

About 3-amino-2-(2-chlorophenyl)-1-(2-methyl-1,3-thiazol-5-yl)propan-1-ol

3-amino-2-(2-chlorophenyl)-1-(2-methyl-1,3-thiazol-5-yl)propan-1-ol (PubChem CID 114031467) has the molecular formula C13H15ClN2OS and a molecular weight of 282.80 g/mol. Its IUPAC name is 3-amino-2-(2-chlorophenyl)-1-(2-methyl-1,3-thiazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2-chlorophenyl)-1-(2-methyl-1,3-thiazol-5-yl)propan-1-ol
PubChem CID114031467
Molecular FormulaC13H15ClN2OS
Molecular Weight282.80 g/mol
Exact Mass282.06
IUPAC Name3-amino-2-(2-chlorophenyl)-1-(2-methyl-1,3-thiazol-5-yl)propan-1-ol
SMILESCc1ncc(C(O)C(CN)c2ccccc2Cl)s1
InChIInChI=1S/C13H15ClN2OS/c1-8-16-7-12(18-8)13(17)10(6-15)9-4-2-3-5-11(9)14/h2-5,7,10,13,17H,6,15H2,1H3
InChIKeyWNQQJSAEXNSKMD-UHFFFAOYSA-N
XLogP2.88
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.80
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 65184960
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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-chlorophenyl)-1-(2-methyl-1,3-thiazol-5-yl)propan-1-ol?
The IUPAC name of 3-amino-2-(2-chlorophenyl)-1-(2-methyl-1,3-thiazol-5-yl)propan-1-ol (CID 114031467) is 3-amino-2-(2-chlorophenyl)-1-(2-methyl-1,3-thiazol-5-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(2-chlorophenyl)-1-(2-methyl-1,3-thiazol-5-yl)propan-1-ol?
The canonical SMILES for 3-amino-2-(2-chlorophenyl)-1-(2-methyl-1,3-thiazol-5-yl)propan-1-ol is Cc1ncc(C(O)C(CN)c2ccccc2Cl)s1.
What is the InChIKey of 3-amino-2-(2-chlorophenyl)-1-(2-methyl-1,3-thiazol-5-yl)propan-1-ol?
The InChIKey is WNQQJSAEXNSKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2OS/c1-8-16-7-12(18-8)13(17)10(6-15)9-4-2-3-5-11(9)14/h2-5,7,10,13,17H,6,15H2,1H3.
What are the key properties of 3-amino-2-(2-chlorophenyl)-1-(2-methyl-1,3-thiazol-5-yl)propan-1-ol?
3-amino-2-(2-chlorophenyl)-1-(2-methyl-1,3-thiazol-5-yl)propan-1-ol has a molecular weight of 282.80 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-chlorophenyl)-1-(2-methyl-1,3-thiazol-5-yl)propan-1-ol is sourced from PubChem (CID 114031467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).