[2-(3-cyclopropylphenyl)-1,3-thiazol-5-yl]methanol

C13H13NOS — CID 79977643

IUPAC[2-(3-cyclopropylphenyl)-1,3-thiazol-5-yl]methanol
SMILESOCc1cnc(-c2cccc(C3CC3)c2)s1
InChIInChI=1S/C13H13NOS/c15-8-12-7-14-13(16-12)11-3-1-2-10(6-11)9-4-5-9/h1-3,6-7,9,15H,4-5,8H2
InChIKeyMMJUPYCJGBXXRI-UHFFFAOYSA-N
MW231.32 g/mol
LogP3.18
Rot. Bonds3

About [2-(3-cyclopropylphenyl)-1,3-thiazol-5-yl]methanol

[2-(3-cyclopropylphenyl)-1,3-thiazol-5-yl]methanol (PubChem CID 79977643) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is [2-(3-cyclopropylphenyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(3-cyclopropylphenyl)-1,3-thiazol-5-yl]methanol
PubChem CID79977643
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC Name[2-(3-cyclopropylphenyl)-1,3-thiazol-5-yl]methanol
SMILESOCc1cnc(-c2cccc(C3CC3)c2)s1
InChIInChI=1S/C13H13NOS/c15-8-12-7-14-13(16-12)11-3-1-2-10(6-11)9-4-5-9/h1-3,6-7,9,15H,4-5,8H2
InChIKeyMMJUPYCJGBXXRI-UHFFFAOYSA-N
XLogP3.18
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(3-cyclopropylphenyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(3-cyclopropylphenyl)-1,3-thiazol-5-yl]methanol (CID 79977643) is [2-(3-cyclopropylphenyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(3-cyclopropylphenyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(3-cyclopropylphenyl)-1,3-thiazol-5-yl]methanol is OCc1cnc(-c2cccc(C3CC3)c2)s1.
What is the InChIKey of [2-(3-cyclopropylphenyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is MMJUPYCJGBXXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS/c15-8-12-7-14-13(16-12)11-3-1-2-10(6-11)9-4-5-9/h1-3,6-7,9,15H,4-5,8H2.
What are the key properties of [2-(3-cyclopropylphenyl)-1,3-thiazol-5-yl]methanol?
[2-(3-cyclopropylphenyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 231.32 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-cyclopropylphenyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 79977643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).