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

C12H12ClNOS — CID 71472735

IUPAC[2-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methanol
SMILESCc1nc(Cc2ccc(Cl)cc2)sc1CO
InChIInChI=1S/C12H12ClNOS/c1-8-11(7-15)16-12(14-8)6-9-2-4-10(13)5-3-9/h2-5,15H,6-7H2,1H3
InChIKeyQBTSZFYWZBWADM-UHFFFAOYSA-N
MW253.75 g/mol
LogP3.19
Rot. Bonds3

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

[2-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methanol (PubChem CID 71472735) has the molecular formula C12H12ClNOS and a molecular weight of 253.75 g/mol. Its IUPAC name is [2-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methanol
PubChem CID71472735
Molecular FormulaC12H12ClNOS
Molecular Weight253.75 g/mol
Exact Mass253.03
IUPAC Name[2-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methanol
SMILESCc1nc(Cc2ccc(Cl)cc2)sc1CO
InChIInChI=1S/C12H12ClNOS/c1-8-11(7-15)16-12(14-8)6-9-2-4-10(13)5-3-9/h2-5,15H,6-7H2,1H3
InChIKeyQBTSZFYWZBWADM-UHFFFAOYSA-N
XLogP3.19
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.75
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methanol (CID 71472735) is [2-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methanol is Cc1nc(Cc2ccc(Cl)cc2)sc1CO.
What is the InChIKey of [2-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methanol?
The InChIKey is QBTSZFYWZBWADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNOS/c1-8-11(7-15)16-12(14-8)6-9-2-4-10(13)5-3-9/h2-5,15H,6-7H2,1H3.
What are the key properties of [2-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methanol?
[2-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methanol has a molecular weight of 253.75 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 71472735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).