N-(6-ethyl-1,3-benzothiazol-2-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide

C19H17N5OS — CID 39092966

IUPACN-(6-ethyl-1,3-benzothiazol-2-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCCc1ccc2nc(NC(=O)c3cnn(-c4ccccn4)c3C)sc2c1
InChIInChI=1S/C19H17N5OS/c1-3-13-7-8-15-16(10-13)26-19(22-15)23-18(25)14-11-21-24(12(14)2)17-6-4-5-9-20-17/h4-11H,3H2,1-2H3,(H,22,23,25)
InChIKeyQWSCNWACTVGHQN-UHFFFAOYSA-N
MW363.45 g/mol
LogP4.00
Rot. Bonds4

About N-(6-ethyl-1,3-benzothiazol-2-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide

N-(6-ethyl-1,3-benzothiazol-2-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 39092966) has the molecular formula C19H17N5OS and a molecular weight of 363.45 g/mol. Its IUPAC name is N-(6-ethyl-1,3-benzothiazol-2-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-ethyl-1,3-benzothiazol-2-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID39092966
Molecular FormulaC19H17N5OS
Molecular Weight363.45 g/mol
Exact Mass363.12
IUPAC NameN-(6-ethyl-1,3-benzothiazol-2-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCCc1ccc2nc(NC(=O)c3cnn(-c4ccccn4)c3C)sc2c1
InChIInChI=1S/C19H17N5OS/c1-3-13-7-8-15-16(10-13)26-19(22-15)23-18(25)14-11-21-24(12(14)2)17-6-4-5-9-20-17/h4-11H,3H2,1-2H3,(H,22,23,25)
InChIKeyQWSCNWACTVGHQN-UHFFFAOYSA-N
XLogP4.00
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-chloro-1,3-benzothiazol-2-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108739126
5-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 39102158
1-ethyl-N-(6-ethyl-1,3-benzothiazol-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 51130973
N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 43952222
5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-phenylpyrazole-4-carboxamide
CID 108791910
5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 10998462
N-(2-ethyl-6-methylphenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 24825168
N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108738299
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-4-carboxamide
CID 17026851
N-(6-ethyl-1,3-benzothiazol-2-yl)-2,4,5-trimethoxybenzamide
CID 2452584
5-methyl-1-pyridin-2-yl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
CID 15944140
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 43980540

Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-1,3-benzothiazol-2-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-(6-ethyl-1,3-benzothiazol-2-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide (CID 39092966) is N-(6-ethyl-1,3-benzothiazol-2-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(6-ethyl-1,3-benzothiazol-2-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(6-ethyl-1,3-benzothiazol-2-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide is CCc1ccc2nc(NC(=O)c3cnn(-c4ccccn4)c3C)sc2c1.
What is the InChIKey of N-(6-ethyl-1,3-benzothiazol-2-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is QWSCNWACTVGHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS/c1-3-13-7-8-15-16(10-13)26-19(22-15)23-18(25)14-11-21-24(12(14)2)17-6-4-5-9-20-17/h4-11H,3H2,1-2H3,(H,22,23,25).
What are the key properties of N-(6-ethyl-1,3-benzothiazol-2-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
N-(6-ethyl-1,3-benzothiazol-2-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 363.45 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethyl-1,3-benzothiazol-2-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 39092966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).