3-cyclopropyl-N-[4-(difluoromethoxy)-1,3-benzothiazol-2-yl]-1-methylpyrazole-4-carboxamide

C16H14F2N4O2S — CID 167931221

IUPAC3-cyclopropyl-N-[4-(difluoromethoxy)-1,3-benzothiazol-2-yl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2nc3c(OC(F)F)cccc3s2)c(C2CC2)n1
InChIInChI=1S/C16H14F2N4O2S/c1-22-7-9(12(21-22)8-5-6-8)14(23)20-16-19-13-10(24-15(17)18)3-2-4-11(13)25-16/h2-4,7-8,15H,5-6H2,1H3,(H,19,20,23)
InChIKeyBESCZOXJDRYPFS-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.76
Rot. Bonds5

About 3-cyclopropyl-N-[4-(difluoromethoxy)-1,3-benzothiazol-2-yl]-1-methylpyrazole-4-carboxamide

3-cyclopropyl-N-[4-(difluoromethoxy)-1,3-benzothiazol-2-yl]-1-methylpyrazole-4-carboxamide (PubChem CID 167931221) has the molecular formula C16H14F2N4O2S and a molecular weight of 364.38 g/mol. Its IUPAC name is 3-cyclopropyl-N-[4-(difluoromethoxy)-1,3-benzothiazol-2-yl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[4-(difluoromethoxy)-1,3-benzothiazol-2-yl]-1-methylpyrazole-4-carboxamide
PubChem CID167931221
Molecular FormulaC16H14F2N4O2S
Molecular Weight364.38 g/mol
Exact Mass364.08
IUPAC Name3-cyclopropyl-N-[4-(difluoromethoxy)-1,3-benzothiazol-2-yl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2nc3c(OC(F)F)cccc3s2)c(C2CC2)n1
InChIInChI=1S/C16H14F2N4O2S/c1-22-7-9(12(21-22)8-5-6-8)14(23)20-16-19-13-10(24-15(17)18)3-2-4-11(13)25-16/h2-4,7-8,15H,5-6H2,1H3,(H,19,20,23)
InChIKeyBESCZOXJDRYPFS-UHFFFAOYSA-N
XLogP3.76
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-cyclopropyl-N-[4-(difluoromethoxy)-1,3-benzothiazol-2-yl]-1-methylpyrazole-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

4-(difluoromethoxy)-3-methoxy-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 31892120
3-(2,4-difluorophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)-1-methylpyrazole-4-carboxamide
CID 86948039
3-[[4-(difluoromethoxy)-1,3-benzothiazol-2-yl]amino]-2-methoxy-2-methyl-3-oxopropanoic acid
CID 146136041
N-(4-ethyl-1,3-benzothiazol-2-yl)-3-methoxy-1-methylpyrazole-4-carboxamide
CID 43989583
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-fluorobenzamide
CID 867640
3-cyclopropyl-1-methyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide
CID 167977469
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(difluoromethoxy)benzamide
CID 18077911
2-(difluoromethoxy)-N-(1,3-dimethylpyrazol-4-yl)benzamide
CID 19346092
2-bromo-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 3431686
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 19214365
methyl 2-[(4-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 43952140
2-chloro-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 5185443

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[4-(difluoromethoxy)-1,3-benzothiazol-2-yl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[4-(difluoromethoxy)-1,3-benzothiazol-2-yl]-1-methylpyrazole-4-carboxamide (CID 167931221) is 3-cyclopropyl-N-[4-(difluoromethoxy)-1,3-benzothiazol-2-yl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[4-(difluoromethoxy)-1,3-benzothiazol-2-yl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[4-(difluoromethoxy)-1,3-benzothiazol-2-yl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)Nc2nc3c(OC(F)F)cccc3s2)c(C2CC2)n1.
What is the InChIKey of 3-cyclopropyl-N-[4-(difluoromethoxy)-1,3-benzothiazol-2-yl]-1-methylpyrazole-4-carboxamide?
The InChIKey is BESCZOXJDRYPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4O2S/c1-22-7-9(12(21-22)8-5-6-8)14(23)20-16-19-13-10(24-15(17)18)3-2-4-11(13)25-16/h2-4,7-8,15H,5-6H2,1H3,(H,19,20,23).
What are the key properties of 3-cyclopropyl-N-[4-(difluoromethoxy)-1,3-benzothiazol-2-yl]-1-methylpyrazole-4-carboxamide?
3-cyclopropyl-N-[4-(difluoromethoxy)-1,3-benzothiazol-2-yl]-1-methylpyrazole-4-carboxamide has a molecular weight of 364.38 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[4-(difluoromethoxy)-1,3-benzothiazol-2-yl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 167931221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).