(1R)-2-amino-3-phenyl-1-(1,3-thiazol-2-yl)propan-1-ol

C12H14N2OS — CID 70041725

IUPAC(1R)-2-amino-3-phenyl-1-(1,3-thiazol-2-yl)propan-1-ol
SMILESNC(Cc1ccccc1)[C@@H](O)c1nccs1
InChIInChI=1S/C12H14N2OS/c13-10(8-9-4-2-1-3-5-9)11(15)12-14-6-7-16-12/h1-7,10-11,15H,8,13H2/t10?,11-/m1/s1
InChIKeyBSHIIXDRPYWZRV-RRKGBCIJSA-N
MW234.32 g/mol
LogP1.75
Rot. Bonds4

About (1R)-2-amino-3-phenyl-1-(1,3-thiazol-2-yl)propan-1-ol

(1R)-2-amino-3-phenyl-1-(1,3-thiazol-2-yl)propan-1-ol (PubChem CID 70041725) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is (1R)-2-amino-3-phenyl-1-(1,3-thiazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name(1R)-2-amino-3-phenyl-1-(1,3-thiazol-2-yl)propan-1-ol
PubChem CID70041725
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name(1R)-2-amino-3-phenyl-1-(1,3-thiazol-2-yl)propan-1-ol
SMILESNC(Cc1ccccc1)[C@@H](O)c1nccs1
InChIInChI=1S/C12H14N2OS/c13-10(8-9-4-2-1-3-5-9)11(15)12-14-6-7-16-12/h1-7,10-11,15H,8,13H2/t10?,11-/m1/s1
InChIKeyBSHIIXDRPYWZRV-RRKGBCIJSA-N
XLogP1.75
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-amino-3-phenyl-1-(1,3-thiazol-2-yl)propan-1-ol?
The IUPAC name of (1R)-2-amino-3-phenyl-1-(1,3-thiazol-2-yl)propan-1-ol (CID 70041725) is (1R)-2-amino-3-phenyl-1-(1,3-thiazol-2-yl)propan-1-ol.
What is the SMILES notation for (1R)-2-amino-3-phenyl-1-(1,3-thiazol-2-yl)propan-1-ol?
The canonical SMILES for (1R)-2-amino-3-phenyl-1-(1,3-thiazol-2-yl)propan-1-ol is NC(Cc1ccccc1)[C@@H](O)c1nccs1.
What is the InChIKey of (1R)-2-amino-3-phenyl-1-(1,3-thiazol-2-yl)propan-1-ol?
The InChIKey is BSHIIXDRPYWZRV-RRKGBCIJSA-N. The full InChI is InChI=1S/C12H14N2OS/c13-10(8-9-4-2-1-3-5-9)11(15)12-14-6-7-16-12/h1-7,10-11,15H,8,13H2/t10?,11-/m1/s1.
What are the key properties of (1R)-2-amino-3-phenyl-1-(1,3-thiazol-2-yl)propan-1-ol?
(1R)-2-amino-3-phenyl-1-(1,3-thiazol-2-yl)propan-1-ol has a molecular weight of 234.32 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-amino-3-phenyl-1-(1,3-thiazol-2-yl)propan-1-ol is sourced from PubChem (CID 70041725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).