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

C13H16N4OS — CID 17168212

IUPAC2-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide
SMILESCC1CCc2nc(NC(=O)c3ccnn3C)sc2C1
InChIInChI=1S/C13H16N4OS/c1-8-3-4-9-11(7-8)19-13(15-9)16-12(18)10-5-6-14-17(10)2/h5-6,8H,3-4,7H2,1-2H3,(H,15,16,18)
InChIKeyIWYUNSQSUIVDMR-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.25
Rot. Bonds2

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

2-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide (PubChem CID 17168212) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide
PubChem CID17168212
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC Name2-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide
SMILESCC1CCc2nc(NC(=O)c3ccnn3C)sc2C1
InChIInChI=1S/C13H16N4OS/c1-8-3-4-9-11(7-8)19-13(15-9)16-12(18)10-5-6-14-17(10)2/h5-6,8H,3-4,7H2,1-2H3,(H,15,16,18)
InChIKeyIWYUNSQSUIVDMR-UHFFFAOYSA-N
XLogP2.25
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 72153908
3-tert-butyl-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-1-methylpyrazole-5-carboxamide
CID 654029
5-tert-Butyl-2-methyl-2H-pyrazole-3-carboxylic acid (6-methyl-4,5,6,7-tetrahydro-benzothiazol-2-yl)-amide
CID 655874
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-methyl-1H-pyrazole-5-carboxamide
CID 25284523
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 25854593
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-propylpyrazole-3-carboxamide
CID 35532575
N-[4-(aminomethyl)-1,3-thiazol-2-yl]-3-tert-butyl-1-methylpyrazole-5-carboxamide
CID 56649132
N-[4-(aminomethyl)-1,3-thiazol-2-yl]-2-benzylpyrazole-3-carboxamide
CID 118715030
1-methyl-N-{4-[4-(propan-2-yl)phenyl]-1,3-thiazol-2-yl}-1H-pyrazole-5-carboxamide
CID 25284521
1-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide
CID 25284653
N-(1,3-benzothiazol-2-yl)-2-methylpyrazole-3-carboxamide
CID 674606
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-1H-pyrazole-5-carboxamide
CID 17144276

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide (CID 17168212) is 2-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide is CC1CCc2nc(NC(=O)c3ccnn3C)sc2C1.
What is the InChIKey of 2-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide?
The InChIKey is IWYUNSQSUIVDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-8-3-4-9-11(7-8)19-13(15-9)16-12(18)10-5-6-14-17(10)2/h5-6,8H,3-4,7H2,1-2H3,(H,15,16,18).
What are the key properties of 2-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide?
2-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 17168212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).