1-[2-[(4-chlorophenyl)methyl]-1,3-thiazol-5-yl]propan-2-ol

C13H14ClNOS — CID 115091580

IUPAC1-[2-[(4-chlorophenyl)methyl]-1,3-thiazol-5-yl]propan-2-ol
SMILESCC(O)Cc1cnc(Cc2ccc(Cl)cc2)s1
InChIInChI=1S/C13H14ClNOS/c1-9(16)6-12-8-15-13(17-12)7-10-2-4-11(14)5-3-10/h2-5,8-9,16H,6-7H2,1H3
InChIKeyUEFSQFXBYUZCGW-UHFFFAOYSA-N
MW267.78 g/mol
LogP3.31
Rot. Bonds4

About 1-[2-[(4-chlorophenyl)methyl]-1,3-thiazol-5-yl]propan-2-ol

1-[2-[(4-chlorophenyl)methyl]-1,3-thiazol-5-yl]propan-2-ol (PubChem CID 115091580) has the molecular formula C13H14ClNOS and a molecular weight of 267.78 g/mol. Its IUPAC name is 1-[2-[(4-chlorophenyl)methyl]-1,3-thiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name1-[2-[(4-chlorophenyl)methyl]-1,3-thiazol-5-yl]propan-2-ol
PubChem CID115091580
Molecular FormulaC13H14ClNOS
Molecular Weight267.78 g/mol
Exact Mass267.05
IUPAC Name1-[2-[(4-chlorophenyl)methyl]-1,3-thiazol-5-yl]propan-2-ol
SMILESCC(O)Cc1cnc(Cc2ccc(Cl)cc2)s1
InChIInChI=1S/C13H14ClNOS/c1-9(16)6-12-8-15-13(17-12)7-10-2-4-11(14)5-3-10/h2-5,8-9,16H,6-7H2,1H3
InChIKeyUEFSQFXBYUZCGW-UHFFFAOYSA-N
XLogP3.31
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.78
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(2-chlorophenyl)methyl]-1,3-thiazol-5-yl]propan-2-ol
CID 115091470
5-(bromomethyl)-2-[(4-chlorophenyl)methyl]-1,3-thiazole
CID 82422430
1-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]propan-2-amine
CID 115091635
2-[2-[(4-chlorophenyl)methyl]-1,3-thiazol-5-yl]-N-methylethanamine
CID 115091633
2-[[5-(2-hydroxypropyl)-1,3-thiazol-2-yl]methyl]phenol
CID 115091474
2-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine
CID 93195048
1-[2-(4-methylphenyl)-1,3-thiazol-5-yl]propan-2-ol
CID 115091903
1-[2-[(4-chlorophenyl)methyl]-1,3-oxazol-5-yl]ethanol
CID 115086885
1-[1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-yl]propan-2-ol
CID 133495167
1-[2-(thian-4-ylmethyl)-1,3-thiazol-5-yl]propan-2-ol
CID 115090197
[2-[(4-chlorophenyl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362062
[2-[(3-chlorophenyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 61280552

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-chlorophenyl)methyl]-1,3-thiazol-5-yl]propan-2-ol?
The IUPAC name of 1-[2-[(4-chlorophenyl)methyl]-1,3-thiazol-5-yl]propan-2-ol (CID 115091580) is 1-[2-[(4-chlorophenyl)methyl]-1,3-thiazol-5-yl]propan-2-ol.
What is the SMILES notation for 1-[2-[(4-chlorophenyl)methyl]-1,3-thiazol-5-yl]propan-2-ol?
The canonical SMILES for 1-[2-[(4-chlorophenyl)methyl]-1,3-thiazol-5-yl]propan-2-ol is CC(O)Cc1cnc(Cc2ccc(Cl)cc2)s1.
What is the InChIKey of 1-[2-[(4-chlorophenyl)methyl]-1,3-thiazol-5-yl]propan-2-ol?
The InChIKey is UEFSQFXBYUZCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNOS/c1-9(16)6-12-8-15-13(17-12)7-10-2-4-11(14)5-3-10/h2-5,8-9,16H,6-7H2,1H3.
What are the key properties of 1-[2-[(4-chlorophenyl)methyl]-1,3-thiazol-5-yl]propan-2-ol?
1-[2-[(4-chlorophenyl)methyl]-1,3-thiazol-5-yl]propan-2-ol has a molecular weight of 267.78 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-chlorophenyl)methyl]-1,3-thiazol-5-yl]propan-2-ol is sourced from PubChem (CID 115091580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).