4-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1H-pyrazole-5-carboxamide

C13H13N5OS — CID 63103405

IUPAC4-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1H-pyrazole-5-carboxamide
SMILESCN(Cc1nc2ccccc2s1)C(=O)c1[nH]ncc1N
InChIInChI=1S/C13H13N5OS/c1-18(13(19)12-8(14)6-15-17-12)7-11-16-9-4-2-3-5-10(9)20-11/h2-6H,7,14H2,1H3,(H,15,17)
InChIKeyDGQNGNBAZOIMEP-UHFFFAOYSA-N
MW287.35 g/mol
LogP1.87
Rot. Bonds3

About 4-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1H-pyrazole-5-carboxamide

4-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1H-pyrazole-5-carboxamide (PubChem CID 63103405) has the molecular formula C13H13N5OS and a molecular weight of 287.35 g/mol. Its IUPAC name is 4-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1H-pyrazole-5-carboxamide
PubChem CID63103405
Molecular FormulaC13H13N5OS
Molecular Weight287.35 g/mol
Exact Mass287.08
IUPAC Name4-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1H-pyrazole-5-carboxamide
SMILESCN(Cc1nc2ccccc2s1)C(=O)c1[nH]ncc1N
InChIInChI=1S/C13H13N5OS/c1-18(13(19)12-8(14)6-15-17-12)7-11-16-9-4-2-3-5-10(9)20-11/h2-6H,7,14H2,1H3,(H,15,17)
InChIKeyDGQNGNBAZOIMEP-UHFFFAOYSA-N
XLogP1.87
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 60787815
2-amino-N-(1,3-benzothiazol-2-ylmethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 62793434
4-amino-N-[(4-hydroxyphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 63101793
N-(1,3-benzothiazol-2-ylmethyl)-4-benzoyl-N-methylbenzamide
CID 18117572
N-(1,3-benzothiazol-2-ylmethyl)-2,6-difluoro-N-methylbenzamide
CID 16606856
1-(1,3-benzothiazol-2-ylmethyl)-3-ethyl-1-methylurea
CID 47128028
N-(1,3-benzothiazol-2-ylmethyl)-4-ethyl-N,5-dimethylthiophene-2-carboxamide
CID 9393068
1-(aminomethyl)-N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopropane-1-carboxamide
CID 115452760
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 55143623
N-(1,3-benzothiazol-2-ylmethyl)-4-(diethylamino)-N-methylbenzamide
CID 55389866
5-acetamido-N-(1,3-benzothiazol-2-ylmethyl)-N-methylthiophene-2-carboxamide
CID 24611300
N-(1,3-benzothiazol-2-ylmethyl)-5-bromo-N-methylfuran-2-carboxamide
CID 18117583

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1H-pyrazole-5-carboxamide (CID 63103405) is 4-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1H-pyrazole-5-carboxamide is CN(Cc1nc2ccccc2s1)C(=O)c1[nH]ncc1N.
What is the InChIKey of 4-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is DGQNGNBAZOIMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5OS/c1-18(13(19)12-8(14)6-15-17-12)7-11-16-9-4-2-3-5-10(9)20-11/h2-6H,7,14H2,1H3,(H,15,17).
What are the key properties of 4-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1H-pyrazole-5-carboxamide?
4-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 287.35 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 63103405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).