(1S)-1-phenyl-3-(1,3-thiazol-4-yl)propan-1-ol

C12H13NOS — CID 138966234

IUPAC(1S)-1-phenyl-3-(1,3-thiazol-4-yl)propan-1-ol
SMILESO[C@@H](CCc1cscn1)c1ccccc1
InChIInChI=1S/C12H13NOS/c14-12(10-4-2-1-3-5-10)7-6-11-8-15-9-13-11/h1-5,8-9,12,14H,6-7H2/t12-/m0/s1
InChIKeyZGFSLUCNWHFDNV-LBPRGKRZSA-N
MW219.31 g/mol
LogP2.81
Rot. Bonds4

About (1S)-1-phenyl-3-(1,3-thiazol-4-yl)propan-1-ol

(1S)-1-phenyl-3-(1,3-thiazol-4-yl)propan-1-ol (PubChem CID 138966234) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is (1S)-1-phenyl-3-(1,3-thiazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name(1S)-1-phenyl-3-(1,3-thiazol-4-yl)propan-1-ol
PubChem CID138966234
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC Name(1S)-1-phenyl-3-(1,3-thiazol-4-yl)propan-1-ol
SMILESO[C@@H](CCc1cscn1)c1ccccc1
InChIInChI=1S/C12H13NOS/c14-12(10-4-2-1-3-5-10)7-6-11-8-15-9-13-11/h1-5,8-9,12,14H,6-7H2/t12-/m0/s1
InChIKeyZGFSLUCNWHFDNV-LBPRGKRZSA-N
XLogP2.81
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-phenyl-3-(1,3-thiazol-4-yl)propan-1-ol?
The IUPAC name of (1S)-1-phenyl-3-(1,3-thiazol-4-yl)propan-1-ol (CID 138966234) is (1S)-1-phenyl-3-(1,3-thiazol-4-yl)propan-1-ol.
What is the SMILES notation for (1S)-1-phenyl-3-(1,3-thiazol-4-yl)propan-1-ol?
The canonical SMILES for (1S)-1-phenyl-3-(1,3-thiazol-4-yl)propan-1-ol is O[C@@H](CCc1cscn1)c1ccccc1.
What is the InChIKey of (1S)-1-phenyl-3-(1,3-thiazol-4-yl)propan-1-ol?
The InChIKey is ZGFSLUCNWHFDNV-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H13NOS/c14-12(10-4-2-1-3-5-10)7-6-11-8-15-9-13-11/h1-5,8-9,12,14H,6-7H2/t12-/m0/s1.
What are the key properties of (1S)-1-phenyl-3-(1,3-thiazol-4-yl)propan-1-ol?
(1S)-1-phenyl-3-(1,3-thiazol-4-yl)propan-1-ol has a molecular weight of 219.31 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-phenyl-3-(1,3-thiazol-4-yl)propan-1-ol is sourced from PubChem (CID 138966234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).