methyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate

C10H13NO2S — CID 107925304

IUPACmethyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(C2CC2(C)C)n1
InChIInChI=1S/C10H13NO2S/c1-10(2)4-6(10)8-11-7(5-14-8)9(12)13-3/h5-6H,4H2,1-3H3
InChIKeyBAMFKVNRMOOLGQ-UHFFFAOYSA-N
MW211.29 g/mol
LogP2.44
Rot. Bonds2

About methyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate

methyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate (PubChem CID 107925304) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is methyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate
PubChem CID107925304
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Namemethyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(C2CC2(C)C)n1
InChIInChI=1S/C10H13NO2S/c1-10(2)4-6(10)8-11-7(5-14-8)9(12)13-3/h5-6H,4H2,1-3H3
InChIKeyBAMFKVNRMOOLGQ-UHFFFAOYSA-N
XLogP2.44
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-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 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate (CID 107925304) is methyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate is COC(=O)c1csc(C2CC2(C)C)n1.
What is the InChIKey of methyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate?
The InChIKey is BAMFKVNRMOOLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-10(2)4-6(10)8-11-7(5-14-8)9(12)13-3/h5-6H,4H2,1-3H3.
What are the key properties of methyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate?
methyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate has a molecular weight of 211.29 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 107925304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).