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

C13H14ClNO4S — CID 131867383

IUPAC[2-chloro-4-(2,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanol
SMILESCOc1cc(OC)c(-c2nc(Cl)sc2CO)cc1OC
InChIInChI=1S/C13H14ClNO4S/c1-17-8-5-10(19-3)9(18-2)4-7(8)12-11(6-16)20-13(14)15-12/h4-5,16H,6H2,1-3H3
InChIKeyIUSROLSWRBVYDW-UHFFFAOYSA-N
MW315.78 g/mol
LogP2.98
Rot. Bonds5

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

[2-chloro-4-(2,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanol (PubChem CID 131867383) has the molecular formula C13H14ClNO4S and a molecular weight of 315.78 g/mol. Its IUPAC name is [2-chloro-4-(2,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-chloro-4-(2,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanol
PubChem CID131867383
Molecular FormulaC13H14ClNO4S
Molecular Weight315.78 g/mol
Exact Mass315.03
IUPAC Name[2-chloro-4-(2,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanol
SMILESCOc1cc(OC)c(-c2nc(Cl)sc2CO)cc1OC
InChIInChI=1S/C13H14ClNO4S/c1-17-8-5-10(19-3)9(18-2)4-7(8)12-11(6-16)20-13(14)15-12/h4-5,16H,6H2,1-3H3
InChIKeyIUSROLSWRBVYDW-UHFFFAOYSA-N
XLogP2.98
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.78
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-(2,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-chloro-4-(2,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanol (CID 131867383) is [2-chloro-4-(2,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-chloro-4-(2,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-chloro-4-(2,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanol is COc1cc(OC)c(-c2nc(Cl)sc2CO)cc1OC.
What is the InChIKey of [2-chloro-4-(2,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is IUSROLSWRBVYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO4S/c1-17-8-5-10(19-3)9(18-2)4-7(8)12-11(6-16)20-13(14)15-12/h4-5,16H,6H2,1-3H3.
What are the key properties of [2-chloro-4-(2,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanol?
[2-chloro-4-(2,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 315.78 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-(2,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 131867383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).