1-(4-fluorophenyl)-5-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide

C19H19FN4OS — CID 46577396

IUPAC1-(4-fluorophenyl)-5-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2nc3c(s2)CC(C)CC3)cnn1-c1ccc(F)cc1
InChIInChI=1S/C19H19FN4OS/c1-11-3-8-16-17(9-11)26-19(22-16)23-18(25)15-10-21-24(12(15)2)14-6-4-13(20)5-7-14/h4-7,10-11H,3,8-9H2,1-2H3,(H,22,23,25)
InChIKeyWWWBQYUQEFAIIK-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.15
Rot. Bonds3

About 1-(4-fluorophenyl)-5-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide

1-(4-fluorophenyl)-5-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide (PubChem CID 46577396) has the molecular formula C19H19FN4OS and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide
PubChem CID46577396
Molecular FormulaC19H19FN4OS
Molecular Weight370.45 g/mol
Exact Mass370.13
IUPAC Name1-(4-fluorophenyl)-5-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2nc3c(s2)CC(C)CC3)cnn1-c1ccc(F)cc1
InChIInChI=1S/C19H19FN4OS/c1-11-3-8-16-17(9-11)26-19(22-16)23-18(25)15-10-21-24(12(15)2)14-6-4-13(20)5-7-14/h4-7,10-11H,3,8-9H2,1-2H3,(H,22,23,25)
InChIKeyWWWBQYUQEFAIIK-UHFFFAOYSA-N
XLogP4.15
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-5-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide (CID 46577396) is 1-(4-fluorophenyl)-5-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-5-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-5-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide is Cc1c(C(=O)Nc2nc3c(s2)CC(C)CC3)cnn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide?
The InChIKey is WWWBQYUQEFAIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4OS/c1-11-3-8-16-17(9-11)26-19(22-16)23-18(25)15-10-21-24(12(15)2)14-6-4-13(20)5-7-14/h4-7,10-11H,3,8-9H2,1-2H3,(H,22,23,25).
What are the key properties of 1-(4-fluorophenyl)-5-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide?
1-(4-fluorophenyl)-5-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 46577396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).