(5-chloro-1,3-thiazol-2-yl)-(4-propoxyphenyl)methanol

C13H14ClNO2S — CID 107124967

IUPAC(5-chloro-1,3-thiazol-2-yl)-(4-propoxyphenyl)methanol
SMILESCCCOc1ccc(C(O)c2ncc(Cl)s2)cc1
InChIInChI=1S/C13H14ClNO2S/c1-2-7-17-10-5-3-9(4-6-10)12(16)13-15-8-11(14)18-13/h3-6,8,12,16H,2,7H2,1H3
InChIKeyAJHWVXNKTYECOJ-UHFFFAOYSA-N
MW283.78 g/mol
LogP3.67
Rot. Bonds5

About (5-chloro-1,3-thiazol-2-yl)-(4-propoxyphenyl)methanol

(5-chloro-1,3-thiazol-2-yl)-(4-propoxyphenyl)methanol (PubChem CID 107124967) has the molecular formula C13H14ClNO2S and a molecular weight of 283.78 g/mol. Its IUPAC name is (5-chloro-1,3-thiazol-2-yl)-(4-propoxyphenyl)methanol.

Molecular Properties

Compound Name(5-chloro-1,3-thiazol-2-yl)-(4-propoxyphenyl)methanol
PubChem CID107124967
Molecular FormulaC13H14ClNO2S
Molecular Weight283.78 g/mol
Exact Mass283.04
IUPAC Name(5-chloro-1,3-thiazol-2-yl)-(4-propoxyphenyl)methanol
SMILESCCCOc1ccc(C(O)c2ncc(Cl)s2)cc1
InChIInChI=1S/C13H14ClNO2S/c1-2-7-17-10-5-3-9(4-6-10)12(16)13-15-8-11(14)18-13/h3-6,8,12,16H,2,7H2,1H3
InChIKeyAJHWVXNKTYECOJ-UHFFFAOYSA-N
XLogP3.67
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5-chloro-1,3-thiazol-2-yl)-(4-propoxyphenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,5-dichloro-2-pyridinyl)-(4-propoxyphenyl)methanol
CID 79781093
(6-methyl-3-pyridinyl)-(4-propoxyphenyl)methanol
CID 63895736
(4-chloro-2-fluorophenyl)-(4-propoxyphenyl)methanol
CID 63082099
(4-ethylphenyl)-(4-propoxyphenyl)methanol
CID 62796114
(3-chloro-4-methylphenyl)-(4-propoxyphenyl)methanol
CID 115795362
(6-methoxy-3-pyridinyl)-(4-propoxyphenyl)methanol
CID 114937776
(4-butoxyphenyl)-(3,4-dichlorophenyl)methanol
CID 105133325
(4-cyclopropylphenyl)-(4-propoxyphenyl)methanol
CID 79970800
(5-chloro-1,3-thiazol-2-yl)-pyrimidin-5-ylmethanol
CID 107124813
2-chloro-1-(4-propoxyphenyl)ethanol
CID 83001734
(3-ethylimidazol-4-yl)-(4-propoxyphenyl)methanol
CID 66135578
bis(4-octoxyphenyl)methanol
CID 139262063

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1,3-thiazol-2-yl)-(4-propoxyphenyl)methanol?
The IUPAC name of (5-chloro-1,3-thiazol-2-yl)-(4-propoxyphenyl)methanol (CID 107124967) is (5-chloro-1,3-thiazol-2-yl)-(4-propoxyphenyl)methanol.
What is the SMILES notation for (5-chloro-1,3-thiazol-2-yl)-(4-propoxyphenyl)methanol?
The canonical SMILES for (5-chloro-1,3-thiazol-2-yl)-(4-propoxyphenyl)methanol is CCCOc1ccc(C(O)c2ncc(Cl)s2)cc1.
What is the InChIKey of (5-chloro-1,3-thiazol-2-yl)-(4-propoxyphenyl)methanol?
The InChIKey is AJHWVXNKTYECOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2S/c1-2-7-17-10-5-3-9(4-6-10)12(16)13-15-8-11(14)18-13/h3-6,8,12,16H,2,7H2,1H3.
What are the key properties of (5-chloro-1,3-thiazol-2-yl)-(4-propoxyphenyl)methanol?
(5-chloro-1,3-thiazol-2-yl)-(4-propoxyphenyl)methanol has a molecular weight of 283.78 g/mol, XLogP of 3.67, 5 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)-(4-propoxyphenyl)methanol is sourced from PubChem (CID 107124967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).