N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)pyridine-3-carboxamide

C15H10N4OS2 — CID 121082936

IUPACN-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)pyridine-3-carboxamide
SMILESCc1nc2c(ccc3nc(NC(=O)c4cccnc4)sc32)s1
InChIInChI=1S/C15H10N4OS2/c1-8-17-12-11(21-8)5-4-10-13(12)22-15(18-10)19-14(20)9-3-2-6-16-7-9/h2-7H,1H3,(H,18,19,20)
InChIKeyPSSYQTWXGYFVBR-UHFFFAOYSA-N
MW326.41 g/mol
LogP3.86
Rot. Bonds2

About N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)pyridine-3-carboxamide

N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)pyridine-3-carboxamide (PubChem CID 121082936) has the molecular formula C15H10N4OS2 and a molecular weight of 326.41 g/mol. Its IUPAC name is N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)pyridine-3-carboxamide
PubChem CID121082936
Molecular FormulaC15H10N4OS2
Molecular Weight326.41 g/mol
Exact Mass326.03
IUPAC NameN-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)pyridine-3-carboxamide
SMILESCc1nc2c(ccc3nc(NC(=O)c4cccnc4)sc32)s1
InChIInChI=1S/C15H10N4OS2/c1-8-17-12-11(21-8)5-4-10-13(12)22-15(18-10)19-14(20)9-3-2-6-16-7-9/h2-7H,1H3,(H,18,19,20)
InChIKeyPSSYQTWXGYFVBR-UHFFFAOYSA-N
XLogP3.86
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide
CID 3426312
N-(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 14700265
N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 693380
N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide;hydrochloride
CID 110756954
N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-5-nitrothiophene-2-carboxamide
CID 4110990
1-(3,5-dimethylphenyl)-3-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea
CID 121080529
4-[cyclopentyl(methyl)sulfamoyl]-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide
CID 43947317
N-(6-nitro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 693354
1-[2-(dimethylamino)ethyl]-3-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea
CID 71549283
1-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-3-(naphthalen-1-ylmethyl)urea
CID 121080536
N-[6-(ethylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-3-carboxamide
CID 1188159
N-(5-amino-4-tert-butyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 82342389

Frequently Asked Questions

What is the IUPAC name of N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)pyridine-3-carboxamide (CID 121082936) is N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)pyridine-3-carboxamide is Cc1nc2c(ccc3nc(NC(=O)c4cccnc4)sc32)s1.
What is the InChIKey of N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is PSSYQTWXGYFVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4OS2/c1-8-17-12-11(21-8)5-4-10-13(12)22-15(18-10)19-14(20)9-3-2-6-16-7-9/h2-7H,1H3,(H,18,19,20).
What are the key properties of N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)pyridine-3-carboxamide?
N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 326.41 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 121082936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).