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

C13H16N4OS — CID 18130113

IUPAC1-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide
SMILESCC1CCc2nc(NC(=O)c3cnn(C)c3)sc2C1
InChIInChI=1S/C13H16N4OS/c1-8-3-4-10-11(5-8)19-13(15-10)16-12(18)9-6-14-17(2)7-9/h6-8H,3-5H2,1-2H3,(H,15,16,18)
InChIKeyBERZQULOQQIDAI-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.25
Rot. Bonds2

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

1-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide (PubChem CID 18130113) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide
PubChem CID18130113
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC Name1-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide
SMILESCC1CCc2nc(NC(=O)c3cnn(C)c3)sc2C1
InChIInChI=1S/C13H16N4OS/c1-8-3-4-10-11(5-8)19-13(15-10)16-12(18)9-6-14-17(2)7-9/h6-8H,3-5H2,1-2H3,(H,15,16,18)
InChIKeyBERZQULOQQIDAI-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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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide (CID 18130113) is 1-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide is CC1CCc2nc(NC(=O)c3cnn(C)c3)sc2C1.
What is the InChIKey of 1-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide?
The InChIKey is BERZQULOQQIDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-8-3-4-10-11(5-8)19-13(15-10)16-12(18)9-6-14-17(2)7-9/h6-8H,3-5H2,1-2H3,(H,15,16,18).
What are the key properties of 1-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide?
1-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-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 1-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 18130113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).