N-(1,3-benzothiazol-2-ylmethyl)-2,5-dimethylpyrazole-3-carboxamide

C14H14N4OS — CID 11637801

IUPACN-(1,3-benzothiazol-2-ylmethyl)-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2nc3ccccc3s2)n(C)n1
InChIInChI=1S/C14H14N4OS/c1-9-7-11(18(2)17-9)14(19)15-8-13-16-10-5-3-4-6-12(10)20-13/h3-7H,8H2,1-2H3,(H,15,19)
InChIKeyDLUOYFVHGAMLRG-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.27
Rot. Bonds3

About N-(1,3-benzothiazol-2-ylmethyl)-2,5-dimethylpyrazole-3-carboxamide

N-(1,3-benzothiazol-2-ylmethyl)-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 11637801) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-2,5-dimethylpyrazole-3-carboxamide
PubChem CID11637801
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2nc3ccccc3s2)n(C)n1
InChIInChI=1S/C14H14N4OS/c1-9-7-11(18(2)17-9)14(19)15-8-13-16-10-5-3-4-6-12(10)20-13/h3-7H,8H2,1-2H3,(H,15,19)
InChIKeyDLUOYFVHGAMLRG-UHFFFAOYSA-N
XLogP2.27
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2,5-dimethylpyrazole-3-carboxamide
CID 16952689
N-(1,3-benzothiazol-2-ylmethyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 38285036
N-(1,3-benzothiazol-2-ylmethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 38135979
N-(1,3-benzothiazol-2-ylmethyl)-5-methylthiophene-2-carboxamide
CID 18110635
N-(1,3-benzothiazol-2-ylmethyl)-4-bromo-1-ethylpyrrole-2-carboxamide
CID 60954775
N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxy-4-methylbenzamide
CID 31100846
N-(1,3-benzothiazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide
CID 38283922
N-(1,3-benzothiazol-2-ylmethyl)-1-ethyl-3-methyl-4-nitropyrazole-5-carboxamide
CID 84598291
N-(1,3-benzothiazol-2-ylmethyl)-1,5-dimethylpyrazol-3-amine
CID 114253553
1-(1,3-benzothiazol-2-ylmethyl)-3-methylurea
CID 23548661
N-(1,3-benzothiazol-2-ylmethyl)-2,4,5-trimethylfuran-3-carboxamide
CID 38284719
N-(1,3-benzothiazol-2-ylmethyl)-2-ethylbutanamide
CID 47098657

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-2,5-dimethylpyrazole-3-carboxamide (CID 11637801) is N-(1,3-benzothiazol-2-ylmethyl)-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)NCc2nc3ccccc3s2)n(C)n1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is DLUOYFVHGAMLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-9-7-11(18(2)17-9)14(19)15-8-13-16-10-5-3-4-6-12(10)20-13/h3-7H,8H2,1-2H3,(H,15,19).
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-2,5-dimethylpyrazole-3-carboxamide?
N-(1,3-benzothiazol-2-ylmethyl)-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 286.36 g/mol, XLogP of 2.27, 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-ylmethyl)-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 11637801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).