N-(2-acetamido-1,3-benzothiazol-6-yl)-1,3,5-trimethylpyrazole-4-carboxamide

C16H17N5O2S — CID 51090475

IUPACN-(2-acetamido-1,3-benzothiazol-6-yl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCC(=O)Nc1nc2ccc(NC(=O)c3c(C)nn(C)c3C)cc2s1
InChIInChI=1S/C16H17N5O2S/c1-8-14(9(2)21(4)20-8)15(23)18-11-5-6-12-13(7-11)24-16(19-12)17-10(3)22/h5-7H,1-4H3,(H,18,23)(H,17,19,22)
InChIKeyUWNGTRFFWHUREF-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.86
Rot. Bonds3

About N-(2-acetamido-1,3-benzothiazol-6-yl)-1,3,5-trimethylpyrazole-4-carboxamide

N-(2-acetamido-1,3-benzothiazol-6-yl)-1,3,5-trimethylpyrazole-4-carboxamide (PubChem CID 51090475) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-(2-acetamido-1,3-benzothiazol-6-yl)-1,3,5-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-acetamido-1,3-benzothiazol-6-yl)-1,3,5-trimethylpyrazole-4-carboxamide
PubChem CID51090475
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC NameN-(2-acetamido-1,3-benzothiazol-6-yl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCC(=O)Nc1nc2ccc(NC(=O)c3c(C)nn(C)c3C)cc2s1
InChIInChI=1S/C16H17N5O2S/c1-8-14(9(2)21(4)20-8)15(23)18-11-5-6-12-13(7-11)24-16(19-12)17-10(3)22/h5-7H,1-4H3,(H,18,23)(H,17,19,22)
InChIKeyUWNGTRFFWHUREF-UHFFFAOYSA-N
XLogP2.86
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-acetamido-1,3-benzothiazol-6-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 51123615
1,3,5-trimethyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)pyrazole-4-carboxamide
CID 99172414
ethyl N-[6-[[1-(2-chloroethyl)-3,5-dimethylpyrazole-4-carbonyl]amino]-1,3-benzothiazol-2-yl]carbamate
CID 86950155
N-(6-acetamido-1,3-benzothiazol-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78839281
N-(2-acetamido-1,3-benzothiazol-6-yl)-1-methyl-4-nitropyrazole-3-carboxamide
CID 5068246
N-(2-acetamido-1,3-benzothiazol-6-yl)-5-bromothiophene-2-carboxamide
CID 55769726
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 46290994
N-(2-acetamido-1,3-benzothiazol-6-yl)-3-bromo-1-methylindole-2-carboxamide
CID 55970996
4-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 23741959
N-(2-acetamido-1,3-benzothiazol-6-yl)-5-chloro-2-fluorobenzamide
CID 55769791
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylquinoline-4-carboxamide
CID 60557428
N-(6-acetamido-1,3-benzothiazol-2-yl)-5-amino-1-methylpyrazole-4-carboxamide
CID 110452114

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-1,3-benzothiazol-6-yl)-1,3,5-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-(2-acetamido-1,3-benzothiazol-6-yl)-1,3,5-trimethylpyrazole-4-carboxamide (CID 51090475) is N-(2-acetamido-1,3-benzothiazol-6-yl)-1,3,5-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-acetamido-1,3-benzothiazol-6-yl)-1,3,5-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-acetamido-1,3-benzothiazol-6-yl)-1,3,5-trimethylpyrazole-4-carboxamide is CC(=O)Nc1nc2ccc(NC(=O)c3c(C)nn(C)c3C)cc2s1.
What is the InChIKey of N-(2-acetamido-1,3-benzothiazol-6-yl)-1,3,5-trimethylpyrazole-4-carboxamide?
The InChIKey is UWNGTRFFWHUREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-8-14(9(2)21(4)20-8)15(23)18-11-5-6-12-13(7-11)24-16(19-12)17-10(3)22/h5-7H,1-4H3,(H,18,23)(H,17,19,22).
What are the key properties of N-(2-acetamido-1,3-benzothiazol-6-yl)-1,3,5-trimethylpyrazole-4-carboxamide?
N-(2-acetamido-1,3-benzothiazol-6-yl)-1,3,5-trimethylpyrazole-4-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-1,3-benzothiazol-6-yl)-1,3,5-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 51090475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).