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

C17H16N4O2S — CID 165415288

IUPACN-(2-acetamido-1,3-benzothiazol-5-yl)-3,6-dimethylpyridine-2-carboxamide
SMILESCC(=O)Nc1nc2cc(NC(=O)c3nc(C)ccc3C)ccc2s1
InChIInChI=1S/C17H16N4O2S/c1-9-4-5-10(2)18-15(9)16(23)20-12-6-7-14-13(8-12)21-17(24-14)19-11(3)22/h4-8H,1-3H3,(H,20,23)(H,19,21,22)
InChIKeyMTBDMQACMOQDNS-UHFFFAOYSA-N
MW340.41 g/mol
LogP3.52
Rot. Bonds3

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

N-(2-acetamido-1,3-benzothiazol-5-yl)-3,6-dimethylpyridine-2-carboxamide (PubChem CID 165415288) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is N-(2-acetamido-1,3-benzothiazol-5-yl)-3,6-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-acetamido-1,3-benzothiazol-5-yl)-3,6-dimethylpyridine-2-carboxamide
PubChem CID165415288
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC NameN-(2-acetamido-1,3-benzothiazol-5-yl)-3,6-dimethylpyridine-2-carboxamide
SMILESCC(=O)Nc1nc2cc(NC(=O)c3nc(C)ccc3C)ccc2s1
InChIInChI=1S/C17H16N4O2S/c1-9-4-5-10(2)18-15(9)16(23)20-12-6-7-14-13(8-12)21-17(24-14)19-11(3)22/h4-8H,1-3H3,(H,20,23)(H,19,21,22)
InChIKeyMTBDMQACMOQDNS-UHFFFAOYSA-N
XLogP3.52
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Benzamide, 4-amino-N-(benzothiazol-2-yl)-
CID 37560
N-Benzothiazol-2-yl-benzamide
CID 689669
N-(1,3-benzothiazol-2-yl)-2-(4-benzylpiperazin-1-yl)acetamide
CID 7709138
2-[(4-Aminobenzoyl)amino]-1,3-benzothiazole-6-carboxamide
CID 712274
N-(6-acetamido-1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 3284375
N-[3-(1,3-benzothiazol-2-ylamino)-3-oxopropyl]benzamide
CID 16310978
N-(1,3-benzothiazol-2-yl)-3-methylbenzamide
CID 822875
N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 2444453
2-Acetylamino-benzothiazole-6-carboxylic acid (2,4,6-trimethyl-phenyl)-amide
CID 22634439
N-(1,3-benzothiazol-2-yl)-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
CID 41677856
4-(dimethylsulfamoyl)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide
CID 3245324
Benzamide, N-2-benzothiazolyl-4-methyl-
CID 4661022

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-1,3-benzothiazol-5-yl)-3,6-dimethylpyridine-2-carboxamide?
The IUPAC name of N-(2-acetamido-1,3-benzothiazol-5-yl)-3,6-dimethylpyridine-2-carboxamide (CID 165415288) is N-(2-acetamido-1,3-benzothiazol-5-yl)-3,6-dimethylpyridine-2-carboxamide.
What is the SMILES notation for N-(2-acetamido-1,3-benzothiazol-5-yl)-3,6-dimethylpyridine-2-carboxamide?
The canonical SMILES for N-(2-acetamido-1,3-benzothiazol-5-yl)-3,6-dimethylpyridine-2-carboxamide is CC(=O)Nc1nc2cc(NC(=O)c3nc(C)ccc3C)ccc2s1.
What is the InChIKey of N-(2-acetamido-1,3-benzothiazol-5-yl)-3,6-dimethylpyridine-2-carboxamide?
The InChIKey is MTBDMQACMOQDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-9-4-5-10(2)18-15(9)16(23)20-12-6-7-14-13(8-12)21-17(24-14)19-11(3)22/h4-8H,1-3H3,(H,20,23)(H,19,21,22).
What are the key properties of N-(2-acetamido-1,3-benzothiazol-5-yl)-3,6-dimethylpyridine-2-carboxamide?
N-(2-acetamido-1,3-benzothiazol-5-yl)-3,6-dimethylpyridine-2-carboxamide has a molecular weight of 340.41 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-1,3-benzothiazol-5-yl)-3,6-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 165415288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).