(5-chloro-1,3-thiazol-2-yl)-(3-cyclopropyloxyphenyl)methanol

C13H12ClNO2S — CID 107124992

IUPAC(5-chloro-1,3-thiazol-2-yl)-(3-cyclopropyloxyphenyl)methanol
SMILESOC(c1cccc(OC2CC2)c1)c1ncc(Cl)s1
InChIInChI=1S/C13H12ClNO2S/c14-11-7-15-13(18-11)12(16)8-2-1-3-10(6-8)17-9-4-5-9/h1-3,6-7,9,12,16H,4-5H2
InChIKeyNZYOHOXGTIRXGB-UHFFFAOYSA-N
MW281.76 g/mol
LogP3.42
Rot. Bonds4

About (5-chloro-1,3-thiazol-2-yl)-(3-cyclopropyloxyphenyl)methanol

(5-chloro-1,3-thiazol-2-yl)-(3-cyclopropyloxyphenyl)methanol (PubChem CID 107124992) has the molecular formula C13H12ClNO2S and a molecular weight of 281.76 g/mol. Its IUPAC name is (5-chloro-1,3-thiazol-2-yl)-(3-cyclopropyloxyphenyl)methanol.

Molecular Properties

Compound Name(5-chloro-1,3-thiazol-2-yl)-(3-cyclopropyloxyphenyl)methanol
PubChem CID107124992
Molecular FormulaC13H12ClNO2S
Molecular Weight281.76 g/mol
Exact Mass281.03
IUPAC Name(5-chloro-1,3-thiazol-2-yl)-(3-cyclopropyloxyphenyl)methanol
SMILESOC(c1cccc(OC2CC2)c1)c1ncc(Cl)s1
InChIInChI=1S/C13H12ClNO2S/c14-11-7-15-13(18-11)12(16)8-2-1-3-10(6-8)17-9-4-5-9/h1-3,6-7,9,12,16H,4-5H2
InChIKeyNZYOHOXGTIRXGB-UHFFFAOYSA-N
XLogP3.42
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-cyclopropyloxyphenyl)-(5-fluoro-2-pyridinyl)methanol
CID 114521398
(3-chloro-5-fluorophenyl)-(3-cyclopropyloxyphenyl)methanol
CID 114521051
(3-cyclopropyloxyphenyl)-(3,5-difluorophenyl)methanol
CID 114521308
(3-cyclopropyloxyphenyl)-(3-iodophenyl)methanol
CID 115838435
(3-cyclopropyloxyphenyl)-(4,5-dibromothiophen-2-yl)methanol
CID 115838494
(3-cyclopropyloxyphenyl)-(1-methylpyrazol-4-yl)methanol
CID 114520812
(3-bromo-2-chlorophenyl)-(3-cyclopropyloxyphenyl)methanol
CID 115838478
(3-cyclopropyloxyphenyl)-(3-cyclopropylphenyl)methanol
CID 114520953
(3-cyclopropyloxyphenyl)-(4-methylsulfanylphenyl)methanol
CID 115838445
(3-cyclopropyloxyphenyl)-(3-ethylthiophen-2-yl)methanol
CID 115838514
(5-tert-butylthiophen-2-yl)-(3-cyclopropyloxyphenyl)methanol
CID 114520982
3-[(3-cyclopropyloxyphenyl)-hydroxymethyl]benzonitrile
CID 114520992

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1,3-thiazol-2-yl)-(3-cyclopropyloxyphenyl)methanol?
The IUPAC name of (5-chloro-1,3-thiazol-2-yl)-(3-cyclopropyloxyphenyl)methanol (CID 107124992) is (5-chloro-1,3-thiazol-2-yl)-(3-cyclopropyloxyphenyl)methanol.
What is the SMILES notation for (5-chloro-1,3-thiazol-2-yl)-(3-cyclopropyloxyphenyl)methanol?
The canonical SMILES for (5-chloro-1,3-thiazol-2-yl)-(3-cyclopropyloxyphenyl)methanol is OC(c1cccc(OC2CC2)c1)c1ncc(Cl)s1.
What is the InChIKey of (5-chloro-1,3-thiazol-2-yl)-(3-cyclopropyloxyphenyl)methanol?
The InChIKey is NZYOHOXGTIRXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2S/c14-11-7-15-13(18-11)12(16)8-2-1-3-10(6-8)17-9-4-5-9/h1-3,6-7,9,12,16H,4-5H2.
What are the key properties of (5-chloro-1,3-thiazol-2-yl)-(3-cyclopropyloxyphenyl)methanol?
(5-chloro-1,3-thiazol-2-yl)-(3-cyclopropyloxyphenyl)methanol has a molecular weight of 281.76 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1,3-thiazol-2-yl)-(3-cyclopropyloxyphenyl)methanol is sourced from PubChem (CID 107124992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).