N-(1,3-benzothiazol-2-yl)-1-(2,6-difluorophenyl)-5-methylpyrazole-4-carboxamide

C18H12F2N4OS — CID 155926926

IUPACN-(1,3-benzothiazol-2-yl)-1-(2,6-difluorophenyl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2nc3ccccc3s2)cnn1-c1c(F)cccc1F
InChIInChI=1S/C18H12F2N4OS/c1-10-11(9-21-24(10)16-12(19)5-4-6-13(16)20)17(25)23-18-22-14-7-2-3-8-15(14)26-18/h2-9H,1H3,(H,22,23,25)
InChIKeyOPVOEKDGTZGBTL-UHFFFAOYSA-N
MW370.38 g/mol
LogP4.32
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-1-(2,6-difluorophenyl)-5-methylpyrazole-4-carboxamide

N-(1,3-benzothiazol-2-yl)-1-(2,6-difluorophenyl)-5-methylpyrazole-4-carboxamide (PubChem CID 155926926) has the molecular formula C18H12F2N4OS and a molecular weight of 370.38 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-1-(2,6-difluorophenyl)-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-1-(2,6-difluorophenyl)-5-methylpyrazole-4-carboxamide
PubChem CID155926926
Molecular FormulaC18H12F2N4OS
Molecular Weight370.38 g/mol
Exact Mass370.07
IUPAC NameN-(1,3-benzothiazol-2-yl)-1-(2,6-difluorophenyl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2nc3ccccc3s2)cnn1-c1c(F)cccc1F
InChIInChI=1S/C18H12F2N4OS/c1-10-11(9-21-24(10)16-12(19)5-4-6-13(16)20)17(25)23-18-22-14-7-2-3-8-15(14)26-18/h2-9H,1H3,(H,22,23,25)
InChIKeyOPVOEKDGTZGBTL-UHFFFAOYSA-N
XLogP4.32
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-1-(2,6-difluorophenyl)-5-methylpyrazole-4-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-1-(2,6-difluorophenyl)-5-methylpyrazole-4-carboxamide (CID 155926926) is N-(1,3-benzothiazol-2-yl)-1-(2,6-difluorophenyl)-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-1-(2,6-difluorophenyl)-5-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-1-(2,6-difluorophenyl)-5-methylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2nc3ccccc3s2)cnn1-c1c(F)cccc1F.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-1-(2,6-difluorophenyl)-5-methylpyrazole-4-carboxamide?
The InChIKey is OPVOEKDGTZGBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N4OS/c1-10-11(9-21-24(10)16-12(19)5-4-6-13(16)20)17(25)23-18-22-14-7-2-3-8-15(14)26-18/h2-9H,1H3,(H,22,23,25).
What are the key properties of N-(1,3-benzothiazol-2-yl)-1-(2,6-difluorophenyl)-5-methylpyrazole-4-carboxamide?
N-(1,3-benzothiazol-2-yl)-1-(2,6-difluorophenyl)-5-methylpyrazole-4-carboxamide has a molecular weight of 370.38 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-1-(2,6-difluorophenyl)-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 155926926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).