3-phenyl-1-(1,2-thiazol-5-yl)propan-1-ol

C12H13NOS — CID 71123420

IUPAC3-phenyl-1-(1,2-thiazol-5-yl)propan-1-ol
SMILESOC(CCc1ccccc1)c1ccns1
InChIInChI=1S/C12H13NOS/c14-11(12-8-9-13-15-12)7-6-10-4-2-1-3-5-10/h1-5,8-9,11,14H,6-7H2
InChIKeyBZGJCTRQWCDRHV-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.81
Rot. Bonds4

About 3-phenyl-1-(1,2-thiazol-5-yl)propan-1-ol

3-phenyl-1-(1,2-thiazol-5-yl)propan-1-ol (PubChem CID 71123420) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is 3-phenyl-1-(1,2-thiazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name3-phenyl-1-(1,2-thiazol-5-yl)propan-1-ol
PubChem CID71123420
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC Name3-phenyl-1-(1,2-thiazol-5-yl)propan-1-ol
SMILESOC(CCc1ccccc1)c1ccns1
InChIInChI=1S/C12H13NOS/c14-11(12-8-9-13-15-12)7-6-10-4-2-1-3-5-10/h1-5,8-9,11,14H,6-7H2
InChIKeyBZGJCTRQWCDRHV-UHFFFAOYSA-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 3-phenyl-1-(1,2-thiazol-5-yl)propan-1-ol?
The IUPAC name of 3-phenyl-1-(1,2-thiazol-5-yl)propan-1-ol (CID 71123420) is 3-phenyl-1-(1,2-thiazol-5-yl)propan-1-ol.
What is the SMILES notation for 3-phenyl-1-(1,2-thiazol-5-yl)propan-1-ol?
The canonical SMILES for 3-phenyl-1-(1,2-thiazol-5-yl)propan-1-ol is OC(CCc1ccccc1)c1ccns1.
What is the InChIKey of 3-phenyl-1-(1,2-thiazol-5-yl)propan-1-ol?
The InChIKey is BZGJCTRQWCDRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c14-11(12-8-9-13-15-12)7-6-10-4-2-1-3-5-10/h1-5,8-9,11,14H,6-7H2.
What are the key properties of 3-phenyl-1-(1,2-thiazol-5-yl)propan-1-ol?
3-phenyl-1-(1,2-thiazol-5-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 3-phenyl-1-(1,2-thiazol-5-yl)propan-1-ol is sourced from PubChem (CID 71123420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).