7-(4-methyl-3-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-5-carboxamide

C18H14N4OS2 — CID 171092022

IUPAC7-(4-methyl-3-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-5-carboxamide
SMILESCc1csc(NC(=O)c2cc(-c3cnccc3C)c3scnc3c2)n1
InChIInChI=1S/C18H14N4OS2/c1-10-3-4-19-7-14(10)13-5-12(6-15-16(13)25-9-20-15)17(23)22-18-21-11(2)8-24-18/h3-9H,1-2H3,(H,21,22,23)
InChIKeyDCORUESCUAOWKR-UHFFFAOYSA-N
MW366.47 g/mol
LogP4.68
Rot. Bonds3

About 7-(4-methyl-3-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-5-carboxamide

7-(4-methyl-3-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-5-carboxamide (PubChem CID 171092022) has the molecular formula C18H14N4OS2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 7-(4-methyl-3-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-5-carboxamide.

Molecular Properties

Compound Name7-(4-methyl-3-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-5-carboxamide
PubChem CID171092022
Molecular FormulaC18H14N4OS2
Molecular Weight366.47 g/mol
Exact Mass366.06
IUPAC Name7-(4-methyl-3-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-5-carboxamide
SMILESCc1csc(NC(=O)c2cc(-c3cnccc3C)c3scnc3c2)n1
InChIInChI=1S/C18H14N4OS2/c1-10-3-4-19-7-14(10)13-5-12(6-15-16(13)25-9-20-15)17(23)22-18-21-11(2)8-24-18/h3-9H,1-2H3,(H,21,22,23)
InChIKeyDCORUESCUAOWKR-UHFFFAOYSA-N
XLogP4.68
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-(4-methyl-3-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-5-(4-methyl-3-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 172523643
3-fluoro-5-(4-methyl-3-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 167518263
5-chloro-4-(4-methyl-3-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 171091225
3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 1246749
2-methoxy-N-[4-(4-methyl-3-pyridinyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide
CID 162387055
8-(4-methyl-3-pyridinyl)-N-pyridin-2-ylquinoxaline-6-carboxamide
CID 171092083
3-methoxy-4-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 17425685
N-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-3-yloxypyridine-3-carboxamide
CID 86762172
N-(4-methyl-1,3-thiazol-2-yl)-4-pyrimidin-5-ylbenzamide
CID 56857360
4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 683754
4-N-(4-methyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 47106736
4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 885062

Frequently Asked Questions

What is the IUPAC name of 7-(4-methyl-3-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-5-carboxamide?
The IUPAC name of 7-(4-methyl-3-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-5-carboxamide (CID 171092022) is 7-(4-methyl-3-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-5-carboxamide.
What is the SMILES notation for 7-(4-methyl-3-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-5-carboxamide?
The canonical SMILES for 7-(4-methyl-3-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-5-carboxamide is Cc1csc(NC(=O)c2cc(-c3cnccc3C)c3scnc3c2)n1.
What is the InChIKey of 7-(4-methyl-3-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-5-carboxamide?
The InChIKey is DCORUESCUAOWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4OS2/c1-10-3-4-19-7-14(10)13-5-12(6-15-16(13)25-9-20-15)17(23)22-18-21-11(2)8-24-18/h3-9H,1-2H3,(H,21,22,23).
What are the key properties of 7-(4-methyl-3-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-5-carboxamide?
7-(4-methyl-3-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-5-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methyl-3-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-5-carboxamide is sourced from PubChem (CID 171092022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).