N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide

C20H18N4O3S — CID 43980540

IUPACN-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCOc1cc2nc(NC(=O)c3cnn(-c4ccccc4)c3C)sc2cc1OC
InChIInChI=1S/C20H18N4O3S/c1-12-14(11-21-24(12)13-7-5-4-6-8-13)19(25)23-20-22-15-9-16(26-2)17(27-3)10-18(15)28-20/h4-11H,1-3H3,(H,22,23,25)
InChIKeyGWYZNGOAAVUHMG-UHFFFAOYSA-N
MW394.46 g/mol
LogP4.06
Rot. Bonds5

About N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide

N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 43980540) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID43980540
Molecular FormulaC20H18N4O3S
Molecular Weight394.46 g/mol
Exact Mass394.11
IUPAC NameN-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCOc1cc2nc(NC(=O)c3cnn(-c4ccccc4)c3C)sc2cc1OC
InChIInChI=1S/C20H18N4O3S/c1-12-14(11-21-24(12)13-7-5-4-6-8-13)19(25)23-20-22-15-9-16(26-2)17(27-3)10-18(15)28-20/h4-11H,1-3H3,(H,22,23,25)
InChIKeyGWYZNGOAAVUHMG-UHFFFAOYSA-N
XLogP4.06
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108804234
N-(3-chloro-4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108791811
N-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108804181
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxybenzamide
CID 7543008
N-(6-chloro-1,3-benzothiazol-2-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108739126
N-(5-cyano-1,3-thiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 90603522
5-methyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375534
N-(6-ethyl-1,3-benzothiazol-2-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 39092966
1-benzyl-3-(5,6-dimethoxy-1,3-benzothiazol-2-yl)urea
CID 121081082
methyl 2-anilino-5-methoxy-1,3-benzothiazole-6-carboxylate
CID 82548339

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide (CID 43980540) is N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide is COc1cc2nc(NC(=O)c3cnn(-c4ccccc4)c3C)sc2cc1OC.
What is the InChIKey of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is GWYZNGOAAVUHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S/c1-12-14(11-21-24(12)13-7-5-4-6-8-13)19(25)23-20-22-15-9-16(26-2)17(27-3)10-18(15)28-20/h4-11H,1-3H3,(H,22,23,25).
What are the key properties of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide?
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 394.46 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 43980540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).