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

C12H15ClN2O3S — CID 113341175

IUPACmethyl 4-chloro-2-[(2-cyclopropyloxolan-3-yl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC2CCOC2C2CC2)nc1Cl
InChIInChI=1S/C12H15ClN2O3S/c1-17-11(16)9-10(13)15-12(19-9)14-7-4-5-18-8(7)6-2-3-6/h6-8H,2-5H2,1H3,(H,14,15)
InChIKeyPBSXXCKBJZBKQZ-UHFFFAOYSA-N
MW302.78 g/mol
LogP2.56
Rot. Bonds4

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

methyl 4-chloro-2-[(2-cyclopropyloxolan-3-yl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 113341175) has the molecular formula C12H15ClN2O3S and a molecular weight of 302.78 g/mol. Its IUPAC name is methyl 4-chloro-2-[(2-cyclopropyloxolan-3-yl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-[(2-cyclopropyloxolan-3-yl)amino]-1,3-thiazole-5-carboxylate
PubChem CID113341175
Molecular FormulaC12H15ClN2O3S
Molecular Weight302.78 g/mol
Exact Mass302.05
IUPAC Namemethyl 4-chloro-2-[(2-cyclopropyloxolan-3-yl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC2CCOC2C2CC2)nc1Cl
InChIInChI=1S/C12H15ClN2O3S/c1-17-11(16)9-10(13)15-12(19-9)14-7-4-5-18-8(7)6-2-3-6/h6-8H,2-5H2,1H3,(H,14,15)
InChIKeyPBSXXCKBJZBKQZ-UHFFFAOYSA-N
XLogP2.56
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-chloro-2-[(2-cyclopropyloxolan-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-[(2-cyclopropyloxolan-3-yl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-[(2-cyclopropyloxolan-3-yl)amino]-1,3-thiazole-5-carboxylate (CID 113341175) is methyl 4-chloro-2-[(2-cyclopropyloxolan-3-yl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-[(2-cyclopropyloxolan-3-yl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-[(2-cyclopropyloxolan-3-yl)amino]-1,3-thiazole-5-carboxylate is COC(=O)c1sc(NC2CCOC2C2CC2)nc1Cl.
What is the InChIKey of methyl 4-chloro-2-[(2-cyclopropyloxolan-3-yl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is PBSXXCKBJZBKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3S/c1-17-11(16)9-10(13)15-12(19-9)14-7-4-5-18-8(7)6-2-3-6/h6-8H,2-5H2,1H3,(H,14,15).
What are the key properties of methyl 4-chloro-2-[(2-cyclopropyloxolan-3-yl)amino]-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-[(2-cyclopropyloxolan-3-yl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 302.78 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-[(2-cyclopropyloxolan-3-yl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 113341175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).