4-(2,1,3-benzothiadiazol-4-yl)-1H-indole-2-carboxamide

C15H10N4OS — CID 167925118

IUPAC4-(2,1,3-benzothiadiazol-4-yl)-1H-indole-2-carboxamide
SMILESNC(=O)c1cc2c(-c3cccc4nsnc34)cccc2[nH]1
InChIInChI=1S/C15H10N4OS/c16-15(20)13-7-10-8(3-1-5-11(10)17-13)9-4-2-6-12-14(9)19-21-18-12/h1-7,17H,(H2,16,20)
InChIKeyIDJVPXHFVTVSSK-UHFFFAOYSA-N
MW294.34 g/mol
LogP2.94
Rot. Bonds2

About 4-(2,1,3-benzothiadiazol-4-yl)-1H-indole-2-carboxamide

4-(2,1,3-benzothiadiazol-4-yl)-1H-indole-2-carboxamide (PubChem CID 167925118) has the molecular formula C15H10N4OS and a molecular weight of 294.34 g/mol. Its IUPAC name is 4-(2,1,3-benzothiadiazol-4-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-(2,1,3-benzothiadiazol-4-yl)-1H-indole-2-carboxamide
PubChem CID167925118
Molecular FormulaC15H10N4OS
Molecular Weight294.34 g/mol
Exact Mass294.06
IUPAC Name4-(2,1,3-benzothiadiazol-4-yl)-1H-indole-2-carboxamide
SMILESNC(=O)c1cc2c(-c3cccc4nsnc34)cccc2[nH]1
InChIInChI=1S/C15H10N4OS/c16-15(20)13-7-10-8(3-1-5-11(10)17-13)9-4-2-6-12-14(9)19-21-18-12/h1-7,17H,(H2,16,20)
InChIKeyIDJVPXHFVTVSSK-UHFFFAOYSA-N
XLogP2.94
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1H-indole-2-carboxamide
CID 167777712
3H-benzo[e]indole-2-carboxamide
CID 69052139
ethyl 3-(2,1,3-benzothiadiazol-4-ylamino)-1H-indole-2-carboxylate
CID 166606822
4-(1-methyltriazol-4-yl)-2,1,3-benzothiadiazole
CID 102109689
methyl 4-amino-1H-indole-2-carboxylate
CID 19955413
N-[2-(2,1,3-benzothiadiazol-4-yl)-6-chlorophenyl]benzamide
CID 165383016
3-(2-carbamoyl-1H-indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
CID 146350437
N-oxo-2,1,3-benzothiadiazole-4-carboxamide
CID 134287124
2-amino-N-(2,1,3-benzothiadiazol-4-yl)acetamide
CID 110470032
2-quinolin-4-yl-9H-carbazole-1-carboxamide
CID 66606308
3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxamide
CID 68635954
1,4-dioxane;bis(4-(oxiran-2-ylmethoxy)-1H-indole-2-carboxamide)
CID 51063119

Frequently Asked Questions

What is the IUPAC name of 4-(2,1,3-benzothiadiazol-4-yl)-1H-indole-2-carboxamide?
The IUPAC name of 4-(2,1,3-benzothiadiazol-4-yl)-1H-indole-2-carboxamide (CID 167925118) is 4-(2,1,3-benzothiadiazol-4-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 4-(2,1,3-benzothiadiazol-4-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 4-(2,1,3-benzothiadiazol-4-yl)-1H-indole-2-carboxamide is NC(=O)c1cc2c(-c3cccc4nsnc34)cccc2[nH]1.
What is the InChIKey of 4-(2,1,3-benzothiadiazol-4-yl)-1H-indole-2-carboxamide?
The InChIKey is IDJVPXHFVTVSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4OS/c16-15(20)13-7-10-8(3-1-5-11(10)17-13)9-4-2-6-12-14(9)19-21-18-12/h1-7,17H,(H2,16,20).
What are the key properties of 4-(2,1,3-benzothiadiazol-4-yl)-1H-indole-2-carboxamide?
4-(2,1,3-benzothiadiazol-4-yl)-1H-indole-2-carboxamide has a molecular weight of 294.34 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,1,3-benzothiadiazol-4-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 167925118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).