(4-cyclopropyloxyphenyl)-(1,3-thiazol-2-yl)methanol

C13H13NO2S — CID 114518732

IUPAC(4-cyclopropyloxyphenyl)-(1,3-thiazol-2-yl)methanol
SMILESOC(c1ccc(OC2CC2)cc1)c1nccs1
InChIInChI=1S/C13H13NO2S/c15-12(13-14-7-8-17-13)9-1-3-10(4-2-9)16-11-5-6-11/h1-4,7-8,11-12,15H,5-6H2
InChIKeyPCGHECXTZZOUPO-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.77
Rot. Bonds4

About (4-cyclopropyloxyphenyl)-(1,3-thiazol-2-yl)methanol

(4-cyclopropyloxyphenyl)-(1,3-thiazol-2-yl)methanol (PubChem CID 114518732) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is (4-cyclopropyloxyphenyl)-(1,3-thiazol-2-yl)methanol.

Molecular Properties

Compound Name(4-cyclopropyloxyphenyl)-(1,3-thiazol-2-yl)methanol
PubChem CID114518732
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Name(4-cyclopropyloxyphenyl)-(1,3-thiazol-2-yl)methanol
SMILESOC(c1ccc(OC2CC2)cc1)c1nccs1
InChIInChI=1S/C13H13NO2S/c15-12(13-14-7-8-17-13)9-1-3-10(4-2-9)16-11-5-6-11/h1-4,7-8,11-12,15H,5-6H2
InChIKeyPCGHECXTZZOUPO-UHFFFAOYSA-N
XLogP2.77
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-phenyl(1,3-thiazol-2-yl)methanol
CID 10511917
(4-cyclopropyloxyphenyl)-(4-ethoxyphenyl)methanol
CID 114518502
4-cyclopentyloxy-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993074
(4-cyclopropyloxyphenyl)-(4-cyclopropylphenyl)methanol
CID 114518662
ethane;phenyl(1,3-thiazol-2-yl)methanol;hydrate
CID 142101108
(4-cyclopropyloxyphenyl)-(3,4-difluorophenyl)methanol
CID 114518537
(3-cyclobutylphenyl)-(1,3-thiazol-2-yl)methanol
CID 114601615
(4-cyclopropyloxyphenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 115838349
(4-cyclopropyloxyphenyl)-(5-methyl-2-pyridinyl)methanol
CID 114518682
(2-tert-butyl-1,3-thiazol-4-yl)-(4-cyclopropyloxyphenyl)methanol
CID 114518744
(4-cyclopropyloxyphenyl)-(2,4-difluoro-5-methylphenyl)methanol
CID 115838370
(3-chloro-4-fluorophenyl)-(4-cyclopropyloxyphenyl)methanol
CID 114518680

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyloxyphenyl)-(1,3-thiazol-2-yl)methanol?
The IUPAC name of (4-cyclopropyloxyphenyl)-(1,3-thiazol-2-yl)methanol (CID 114518732) is (4-cyclopropyloxyphenyl)-(1,3-thiazol-2-yl)methanol.
What is the SMILES notation for (4-cyclopropyloxyphenyl)-(1,3-thiazol-2-yl)methanol?
The canonical SMILES for (4-cyclopropyloxyphenyl)-(1,3-thiazol-2-yl)methanol is OC(c1ccc(OC2CC2)cc1)c1nccs1.
What is the InChIKey of (4-cyclopropyloxyphenyl)-(1,3-thiazol-2-yl)methanol?
The InChIKey is PCGHECXTZZOUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c15-12(13-14-7-8-17-13)9-1-3-10(4-2-9)16-11-5-6-11/h1-4,7-8,11-12,15H,5-6H2.
What are the key properties of (4-cyclopropyloxyphenyl)-(1,3-thiazol-2-yl)methanol?
(4-cyclopropyloxyphenyl)-(1,3-thiazol-2-yl)methanol has a molecular weight of 247.32 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyloxyphenyl)-(1,3-thiazol-2-yl)methanol is sourced from PubChem (CID 114518732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).