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

C12H14N4OS — CID 25284653

IUPAC1-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2nc3c(s2)CCCC3)n1
InChIInChI=1S/C12H14N4OS/c1-16-7-6-9(15-16)11(17)14-12-13-8-4-2-3-5-10(8)18-12/h6-7H,2-5H2,1H3,(H,13,14,17)
InChIKeyKCMKGWDVLGLURY-UHFFFAOYSA-N
MW262.34 g/mol
LogP2.01
Rot. Bonds2

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

1-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide (PubChem CID 25284653) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 1-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide
PubChem CID25284653
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name1-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2nc3c(s2)CCCC3)n1
InChIInChI=1S/C12H14N4OS/c1-16-7-6-9(15-16)11(17)14-12-13-8-4-2-3-5-10(8)18-12/h6-7H,2-5H2,1H3,(H,13,14,17)
InChIKeyKCMKGWDVLGLURY-UHFFFAOYSA-N
XLogP2.01
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-(5-methylthiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 6464339
1-ethyl-N-(thiazol-2-yl)-1H-pyrazole-5-carboxamide
CID 649902
5-tert-Butyl-2-methyl-2H-pyrazole-3-carboxylic acid (6-methyl-4,5,6,7-tetrahydro-benzothiazol-2-yl)-amide
CID 655874
2-methyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 903234
1-ethyl-N-(4-(pyridin-2-yl)thiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 42111589
N-(1,3-benzothiazol-2-yl)-1-methyl-1H-pyrazole-3-carboxamide
CID 4592878
N-(6-fluoro-1,3-benzothiazol-2-yl)-1-methyl-1H-pyrazole-5-carboxamide
CID 25284516
1-methyl-N-[4-(thiophen-2-yl)-1,3-thiazol-2-yl]-1H-pyrazole-3-carboxamide
CID 25284659
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-methyl-1H-pyrazole-3-carboxamide
CID 25284705
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 25854593
N-(5-methyl-1,3-thiazol-2-yl)-2-propylpyrazole-3-carboxamide
CID 35522280
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-propylpyrazole-3-carboxamide
CID 35532575

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide (CID 25284653) is 1-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide is Cn1ccc(C(=O)Nc2nc3c(s2)CCCC3)n1.
What is the InChIKey of 1-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide?
The InChIKey is KCMKGWDVLGLURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-16-7-6-9(15-16)11(17)14-12-13-8-4-2-3-5-10(8)18-12/h6-7H,2-5H2,1H3,(H,13,14,17).
What are the key properties of 1-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide?
1-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide has a molecular weight of 262.34 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 25284653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).