N-(1,3-benzothiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide

C20H18N4OS — CID 34250429

IUPACN-(1,3-benzothiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)N(C)c3nc4ccccc4s3)cc2)n1
InChIInChI=1S/C20H18N4OS/c1-13-12-14(2)24(22-13)16-10-8-15(9-11-16)19(25)23(3)20-21-17-6-4-5-7-18(17)26-20/h4-12H,1-3H3
InChIKeyUPKCYXJBWYMBJV-UHFFFAOYSA-N
MW362.46 g/mol
LogP4.38
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide

N-(1,3-benzothiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide (PubChem CID 34250429) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide
PubChem CID34250429
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC NameN-(1,3-benzothiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)N(C)c3nc4ccccc4s3)cc2)n1
InChIInChI=1S/C20H18N4OS/c1-13-12-14(2)24(22-13)16-10-8-15(9-11-16)19(25)23(3)20-21-17-6-4-5-7-18(17)26-20/h4-12H,1-3H3
InChIKeyUPKCYXJBWYMBJV-UHFFFAOYSA-N
XLogP4.38
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 34249854
N-(1,3-benzothiazol-2-yl)-4-(difluoromethoxy)-N-methylbenzamide
CID 17470701
N-benzyl-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide
CID 26912749
2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-methylamino]acetic acid
CID 119172398
N-(1,3-benzothiazol-2-yl)-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 34261151
N-(1,3-benzothiazol-2-yl)-N-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55510158
N-(1,3-benzothiazol-2-yl)-2-iodo-N-methylbenzamide
CID 34247695
4-(3,5-dimethylpyrazol-1-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 27677632
N-(1,3-benzothiazol-2-yl)-4-fluoro-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 37494431
1,3-benzothiazol-2-ylmethyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55645662
4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(4-phenylcyclohexyl)benzamide
CID 55588344
N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-4-(3,5-dimethylpyrazol-1-yl)benzenesulfonamide
CID 45269690

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide (CID 34250429) is N-(1,3-benzothiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide is Cc1cc(C)n(-c2ccc(C(=O)N(C)c3nc4ccccc4s3)cc2)n1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide?
The InChIKey is UPKCYXJBWYMBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS/c1-13-12-14(2)24(22-13)16-10-8-15(9-11-16)19(25)23(3)20-21-17-6-4-5-7-18(17)26-20/h4-12H,1-3H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide?
N-(1,3-benzothiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide has a molecular weight of 362.46 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide is sourced from PubChem (CID 34250429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).