N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide

C20H13N5OS2 — CID 121024802

IUPACN-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide
SMILESCc1ccc(-c2nc3cccnc3s2)cc1NC(=O)c1ccc2nsnc2c1
InChIInChI=1S/C20H13N5OS2/c1-11-4-5-13(19-23-15-3-2-8-21-20(15)27-19)10-16(11)22-18(26)12-6-7-14-17(9-12)25-28-24-14/h2-10H,1H3,(H,22,26)
InChIKeyYSUMOHHLRCWATJ-UHFFFAOYSA-N
MW403.49 g/mol
LogP4.92
Rot. Bonds3

About N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide

N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide (PubChem CID 121024802) has the molecular formula C20H13N5OS2 and a molecular weight of 403.49 g/mol. Its IUPAC name is N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide
PubChem CID121024802
Molecular FormulaC20H13N5OS2
Molecular Weight403.49 g/mol
Exact Mass403.06
IUPAC NameN-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide
SMILESCc1ccc(-c2nc3cccnc3s2)cc1NC(=O)c1ccc2nsnc2c1
InChIInChI=1S/C20H13N5OS2/c1-11-4-5-13(19-23-15-3-2-8-21-20(15)27-19)10-16(11)22-18(26)12-6-7-14-17(9-12)25-28-24-14/h2-10H,1H3,(H,22,26)
InChIKeyYSUMOHHLRCWATJ-UHFFFAOYSA-N
XLogP4.92
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,5-dichloro-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 121024743
N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-4-propan-2-yloxybenzamide
CID 121024749
4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 121024811
4-methyl-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 7141366
1-methyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-oxopyridine-3-carboxamide
CID 121024820
2,3-dimethoxy-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 3292217
6-chloro-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-3-carboxamide
CID 7087663
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 122285267
3,5-dimethoxy-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 7141342
N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-9H-xanthene-9-carboxamide
CID 15944888
2-(2-methoxyphenoxy)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121024794
2-(3-methylphenoxy)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121024714

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide?
The IUPAC name of N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide (CID 121024802) is N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide.
What is the SMILES notation for N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide?
The canonical SMILES for N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide is Cc1ccc(-c2nc3cccnc3s2)cc1NC(=O)c1ccc2nsnc2c1.
What is the InChIKey of N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide?
The InChIKey is YSUMOHHLRCWATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N5OS2/c1-11-4-5-13(19-23-15-3-2-8-21-20(15)27-19)10-16(11)22-18(26)12-6-7-14-17(9-12)25-28-24-14/h2-10H,1H3,(H,22,26).
What are the key properties of N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide?
N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide is sourced from PubChem (CID 121024802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).