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

C12H10ClNO2S — CID 90369311

IUPAC[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl formate
SMILESCc1nc(-c2ccc(Cl)cc2)sc1COC=O
InChIInChI=1S/C12H10ClNO2S/c1-8-11(6-16-7-15)17-12(14-8)9-2-4-10(13)5-3-9/h2-5,7H,6H2,1H3
InChIKeyDLADSAQMBXKAQZ-UHFFFAOYSA-N
MW267.74 g/mol
LogP3.44
Rot. Bonds4

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

[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl formate (PubChem CID 90369311) has the molecular formula C12H10ClNO2S and a molecular weight of 267.74 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl formate.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl formate
PubChem CID90369311
Molecular FormulaC12H10ClNO2S
Molecular Weight267.74 g/mol
Exact Mass267.01
IUPAC Name[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl formate
SMILESCc1nc(-c2ccc(Cl)cc2)sc1COC=O
InChIInChI=1S/C12H10ClNO2S/c1-8-11(6-16-7-15)17-12(14-8)9-2-4-10(13)5-3-9/h2-5,7H,6H2,1H3
InChIKeyDLADSAQMBXKAQZ-UHFFFAOYSA-N
XLogP3.44
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl formate?
The IUPAC name of [2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl formate (CID 90369311) is [2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl formate.
What is the SMILES notation for [2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl formate?
The canonical SMILES for [2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl formate is Cc1nc(-c2ccc(Cl)cc2)sc1COC=O.
What is the InChIKey of [2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl formate?
The InChIKey is DLADSAQMBXKAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2S/c1-8-11(6-16-7-15)17-12(14-8)9-2-4-10(13)5-3-9/h2-5,7H,6H2,1H3.
What are the key properties of [2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl formate?
[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl formate has a molecular weight of 267.74 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl formate is sourced from PubChem (CID 90369311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).