methyl 4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylate

C10H8ClF2N3O2S — CID 90383254

IUPACmethyl 4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylate
SMILESCOC(=O)c1c(-c2nc(C(F)F)c(Cl)s2)cnn1C
InChIInChI=1S/C10H8ClF2N3O2S/c1-16-6(10(17)18-2)4(3-14-16)9-15-5(8(12)13)7(11)19-9/h3,8H,1-2H3
InChIKeyNTBPNEVRDDCGIS-UHFFFAOYSA-N
MW307.71 g/mol
LogP2.92
Rot. Bonds3

About methyl 4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylate

methyl 4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylate (PubChem CID 90383254) has the molecular formula C10H8ClF2N3O2S and a molecular weight of 307.71 g/mol. Its IUPAC name is methyl 4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylate
PubChem CID90383254
Molecular FormulaC10H8ClF2N3O2S
Molecular Weight307.71 g/mol
Exact Mass307.00
IUPAC Namemethyl 4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylate
SMILESCOC(=O)c1c(-c2nc(C(F)F)c(Cl)s2)cnn1C
InChIInChI=1S/C10H8ClF2N3O2S/c1-16-6(10(17)18-2)4(3-14-16)9-15-5(8(12)13)7(11)19-9/h3,8H,1-2H3
InChIKeyNTBPNEVRDDCGIS-UHFFFAOYSA-N
XLogP2.92
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.71
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-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-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylate?
The IUPAC name of methyl 4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylate (CID 90383254) is methyl 4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylate.
What is the SMILES notation for methyl 4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylate?
The canonical SMILES for methyl 4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylate is COC(=O)c1c(-c2nc(C(F)F)c(Cl)s2)cnn1C.
What is the InChIKey of methyl 4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylate?
The InChIKey is NTBPNEVRDDCGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF2N3O2S/c1-16-6(10(17)18-2)4(3-14-16)9-15-5(8(12)13)7(11)19-9/h3,8H,1-2H3.
What are the key properties of methyl 4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylate?
methyl 4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylate has a molecular weight of 307.71 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylate is sourced from PubChem (CID 90383254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).