methyl 4-chloro-2-(4-cyclopropyloxyphenyl)-1,3-thiazole-5-carboxylate

C14H12ClNO3S — CID 114520266

IUPACmethyl 4-chloro-2-(4-cyclopropyloxyphenyl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(-c2ccc(OC3CC3)cc2)nc1Cl
InChIInChI=1S/C14H12ClNO3S/c1-18-14(17)11-12(15)16-13(20-11)8-2-4-9(5-3-8)19-10-6-7-10/h2-5,10H,6-7H2,1H3
InChIKeyQWHWBXKSAVZBNX-UHFFFAOYSA-N
MW309.77 g/mol
LogP3.79
Rot. Bonds4

About methyl 4-chloro-2-(4-cyclopropyloxyphenyl)-1,3-thiazole-5-carboxylate

methyl 4-chloro-2-(4-cyclopropyloxyphenyl)-1,3-thiazole-5-carboxylate (PubChem CID 114520266) has the molecular formula C14H12ClNO3S and a molecular weight of 309.77 g/mol. Its IUPAC name is methyl 4-chloro-2-(4-cyclopropyloxyphenyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-(4-cyclopropyloxyphenyl)-1,3-thiazole-5-carboxylate
PubChem CID114520266
Molecular FormulaC14H12ClNO3S
Molecular Weight309.77 g/mol
Exact Mass309.02
IUPAC Namemethyl 4-chloro-2-(4-cyclopropyloxyphenyl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(-c2ccc(OC3CC3)cc2)nc1Cl
InChIInChI=1S/C14H12ClNO3S/c1-18-14(17)11-12(15)16-13(20-11)8-2-4-9(5-3-8)19-10-6-7-10/h2-5,10H,6-7H2,1H3
InChIKeyQWHWBXKSAVZBNX-UHFFFAOYSA-N
XLogP3.79
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-chloro-2-(4-cyclopropyloxyphenyl)-1,3-thiazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-(4-cyclopropyloxyphenyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-(4-cyclopropyloxyphenyl)-1,3-thiazole-5-carboxylate (CID 114520266) is methyl 4-chloro-2-(4-cyclopropyloxyphenyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-(4-cyclopropyloxyphenyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-(4-cyclopropyloxyphenyl)-1,3-thiazole-5-carboxylate is COC(=O)c1sc(-c2ccc(OC3CC3)cc2)nc1Cl.
What is the InChIKey of methyl 4-chloro-2-(4-cyclopropyloxyphenyl)-1,3-thiazole-5-carboxylate?
The InChIKey is QWHWBXKSAVZBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3S/c1-18-14(17)11-12(15)16-13(20-11)8-2-4-9(5-3-8)19-10-6-7-10/h2-5,10H,6-7H2,1H3.
What are the key properties of methyl 4-chloro-2-(4-cyclopropyloxyphenyl)-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-(4-cyclopropyloxyphenyl)-1,3-thiazole-5-carboxylate has a molecular weight of 309.77 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-(4-cyclopropyloxyphenyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 114520266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).