[2-chloro-4-(3,5-dimethoxyphenyl)-1,3-thiazol-5-yl]methanol

C12H12ClNO3S — CID 131866725

IUPAC[2-chloro-4-(3,5-dimethoxyphenyl)-1,3-thiazol-5-yl]methanol
SMILESCOc1cc(OC)cc(-c2nc(Cl)sc2CO)c1
InChIInChI=1S/C12H12ClNO3S/c1-16-8-3-7(4-9(5-8)17-2)11-10(6-15)18-12(13)14-11/h3-5,15H,6H2,1-2H3
InChIKeyNIRMIGLAAJUXDU-UHFFFAOYSA-N
MW285.75 g/mol
LogP2.97
Rot. Bonds4

About [2-chloro-4-(3,5-dimethoxyphenyl)-1,3-thiazol-5-yl]methanol

[2-chloro-4-(3,5-dimethoxyphenyl)-1,3-thiazol-5-yl]methanol (PubChem CID 131866725) has the molecular formula C12H12ClNO3S and a molecular weight of 285.75 g/mol. Its IUPAC name is [2-chloro-4-(3,5-dimethoxyphenyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-chloro-4-(3,5-dimethoxyphenyl)-1,3-thiazol-5-yl]methanol
PubChem CID131866725
Molecular FormulaC12H12ClNO3S
Molecular Weight285.75 g/mol
Exact Mass285.02
IUPAC Name[2-chloro-4-(3,5-dimethoxyphenyl)-1,3-thiazol-5-yl]methanol
SMILESCOc1cc(OC)cc(-c2nc(Cl)sc2CO)c1
InChIInChI=1S/C12H12ClNO3S/c1-16-8-3-7(4-9(5-8)17-2)11-10(6-15)18-12(13)14-11/h3-5,15H,6H2,1-2H3
InChIKeyNIRMIGLAAJUXDU-UHFFFAOYSA-N
XLogP2.97
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-(3,5-dimethoxyphenyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-chloro-4-(3,5-dimethoxyphenyl)-1,3-thiazol-5-yl]methanol (CID 131866725) is [2-chloro-4-(3,5-dimethoxyphenyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-chloro-4-(3,5-dimethoxyphenyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-chloro-4-(3,5-dimethoxyphenyl)-1,3-thiazol-5-yl]methanol is COc1cc(OC)cc(-c2nc(Cl)sc2CO)c1.
What is the InChIKey of [2-chloro-4-(3,5-dimethoxyphenyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is NIRMIGLAAJUXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO3S/c1-16-8-3-7(4-9(5-8)17-2)11-10(6-15)18-12(13)14-11/h3-5,15H,6H2,1-2H3.
What are the key properties of [2-chloro-4-(3,5-dimethoxyphenyl)-1,3-thiazol-5-yl]methanol?
[2-chloro-4-(3,5-dimethoxyphenyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 285.75 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-(3,5-dimethoxyphenyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 131866725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).