methyl 4-chloro-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazole-5-carboxylate

C11H15ClN2O3S — CID 82747995

IUPACmethyl 4-chloro-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N(C)C2CCOC2C)nc1Cl
InChIInChI=1S/C11H15ClN2O3S/c1-6-7(4-5-17-6)14(2)11-13-9(12)8(18-11)10(15)16-3/h6-7H,4-5H2,1-3H3
InChIKeyUSGLVNTWXARVIA-UHFFFAOYSA-N
MW290.77 g/mol
LogP2.20
Rot. Bonds3

About methyl 4-chloro-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazole-5-carboxylate

methyl 4-chloro-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 82747995) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is methyl 4-chloro-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazole-5-carboxylate
PubChem CID82747995
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC Namemethyl 4-chloro-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N(C)C2CCOC2C)nc1Cl
InChIInChI=1S/C11H15ClN2O3S/c1-6-7(4-5-17-6)14(2)11-13-9(12)8(18-11)10(15)16-3/h6-7H,4-5H2,1-3H3
InChIKeyUSGLVNTWXARVIA-UHFFFAOYSA-N
XLogP2.20
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-chloro-2-[methyl-(2-methyloxolan-3-yl)amino]-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-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazole-5-carboxylate (CID 82747995) is methyl 4-chloro-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazole-5-carboxylate is COC(=O)c1sc(N(C)C2CCOC2C)nc1Cl.
What is the InChIKey of methyl 4-chloro-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is USGLVNTWXARVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S/c1-6-7(4-5-17-6)14(2)11-13-9(12)8(18-11)10(15)16-3/h6-7H,4-5H2,1-3H3.
What are the key properties of methyl 4-chloro-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 290.77 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 82747995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).