N-(6-acetamido-1,3-benzothiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide

C21H19N5O2S — CID 134046171

IUPACN-(6-acetamido-1,3-benzothiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCC(=O)Nc1ccc2nc(NC(=O)c3ccc(-n4nc(C)cc4C)cc3)sc2c1
InChIInChI=1S/C21H19N5O2S/c1-12-10-13(2)26(25-12)17-7-4-15(5-8-17)20(28)24-21-23-18-9-6-16(22-14(3)27)11-19(18)29-21/h4-11H,1-3H3,(H,22,27)(H,23,24,28)
InChIKeyKZNIPNBASNQZNS-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.31
Rot. Bonds4

About N-(6-acetamido-1,3-benzothiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide

N-(6-acetamido-1,3-benzothiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide (PubChem CID 134046171) has the molecular formula C21H19N5O2S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-(6-acetamido-1,3-benzothiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(6-acetamido-1,3-benzothiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
PubChem CID134046171
Molecular FormulaC21H19N5O2S
Molecular Weight405.48 g/mol
Exact Mass405.13
IUPAC NameN-(6-acetamido-1,3-benzothiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCC(=O)Nc1ccc2nc(NC(=O)c3ccc(-n4nc(C)cc4C)cc3)sc2c1
InChIInChI=1S/C21H19N5O2S/c1-12-10-13(2)26(25-12)17-7-4-15(5-8-17)20(28)24-21-23-18-9-6-16(22-14(3)27)11-19(18)29-21/h4-11H,1-3H3,(H,22,27)(H,23,24,28)
InChIKeyKZNIPNBASNQZNS-UHFFFAOYSA-N
XLogP4.31
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[1-[4-[(6-acetamido-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-3,5-dimethylpyrazol-4-yl]propanoate
CID 55513307
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CID 952086
4-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 23741959
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)benzamide
CID 86921766
4-(3,5-dimethylpyrazol-1-yl)-N-naphthalen-2-ylbenzamide
CID 2353958
N-(6-acetamido-1,3-benzothiazol-2-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 134052955
N-(6-acetamido-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide
CID 4557017
N-(6-acetamido-1,3-benzothiazol-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78839281
N-(3-chloro-4-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 1244395
4-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide
CID 34846987
6-(3,5-dimethylpyrazol-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 55645835
N-(6-acetamido-1,3-benzothiazol-2-yl)-4-acetyl-1H-pyrrole-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide (CID 134046171) is N-(6-acetamido-1,3-benzothiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-(6-acetamido-1,3-benzothiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The canonical SMILES for N-(6-acetamido-1,3-benzothiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide is CC(=O)Nc1ccc2nc(NC(=O)c3ccc(-n4nc(C)cc4C)cc3)sc2c1.
What is the InChIKey of N-(6-acetamido-1,3-benzothiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The InChIKey is KZNIPNBASNQZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2S/c1-12-10-13(2)26(25-12)17-7-4-15(5-8-17)20(28)24-21-23-18-9-6-16(22-14(3)27)11-19(18)29-21/h4-11H,1-3H3,(H,22,27)(H,23,24,28).
What are the key properties of N-(6-acetamido-1,3-benzothiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
N-(6-acetamido-1,3-benzothiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide has a molecular weight of 405.48 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetamido-1,3-benzothiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide is sourced from PubChem (CID 134046171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).