(4-chlorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol

C11H10ClNOS — CID 22101856

IUPAC(4-chlorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol
SMILESCc1ncsc1C(O)c1ccc(Cl)cc1
InChIInChI=1S/C11H10ClNOS/c1-7-11(15-6-13-7)10(14)8-2-4-9(12)5-3-8/h2-6,10,14H,1H3
InChIKeyHLFHROWWKDFXBX-UHFFFAOYSA-N
MW239.73 g/mol
LogP3.19
Rot. Bonds2

About (4-chlorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol

(4-chlorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol (PubChem CID 22101856) has the molecular formula C11H10ClNOS and a molecular weight of 239.73 g/mol. Its IUPAC name is (4-chlorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(4-chlorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol
PubChem CID22101856
Molecular FormulaC11H10ClNOS
Molecular Weight239.73 g/mol
Exact Mass239.02
IUPAC Name(4-chlorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol
SMILESCc1ncsc1C(O)c1ccc(Cl)cc1
InChIInChI=1S/C11H10ClNOS/c1-7-11(15-6-13-7)10(14)8-2-4-9(12)5-3-8/h2-6,10,14H,1H3
InChIKeyHLFHROWWKDFXBX-UHFFFAOYSA-N
XLogP3.19
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.73
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-Methyl-1,3-thiazol-5-yl)-2-phenylethyl] nitrate
CID 54670646
2-[2-[(4-Methyl-1,3-thiazol-5-yl)-phenylmethoxy]ethoxy]ethanol
CID 60201765
1-(4-Methyl-5-thiazolyl)-1-phenylmethanol
CID 22101805
Methyl 1-(4-Methyl-5-thiazolyl)-1-phenylmethyl Ether
CID 22101837
(4-Fluorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol
CID 22101844
1-(4-Methyl-1,3-thiazol-5-yl)-2-phenylethanol
CID 54671016
2-(4-Fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 54671114
4-Piperidinol, 4-(4-chlorophenyl)-1-(2-(4-methyl-5-thiazolyl)ethyl)-
CID 3021512
(2-Fluorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol
CID 22101809
(3-Fluorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol
CID 22101822
(4-Methyl-1,3-thiazol-5-yl)-(2,4,5-trifluoro-3-methylphenyl)methanol
CID 22101830
5-[(2-Fluorophenyl)-methoxymethyl]-4-methyl-1,3-thiazole
CID 22101849

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol?
The IUPAC name of (4-chlorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol (CID 22101856) is (4-chlorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol.
What is the SMILES notation for (4-chlorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol?
The canonical SMILES for (4-chlorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol is Cc1ncsc1C(O)c1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol?
The InChIKey is HLFHROWWKDFXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNOS/c1-7-11(15-6-13-7)10(14)8-2-4-9(12)5-3-8/h2-6,10,14H,1H3.
What are the key properties of (4-chlorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol?
(4-chlorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol has a molecular weight of 239.73 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol is sourced from PubChem (CID 22101856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).