7-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-1H-indole-2-carboxamide

C18H14ClN3OS — CID 108745567

IUPAC7-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-1H-indole-2-carboxamide
SMILESCCc1ccc2nc(NC(=O)c3cc4cccc(Cl)c4[nH]3)sc2c1
InChIInChI=1S/C18H14ClN3OS/c1-2-10-6-7-13-15(8-10)24-18(21-13)22-17(23)14-9-11-4-3-5-12(19)16(11)20-14/h3-9,20H,2H2,1H3,(H,21,22,23)
InChIKeyYZRJZIQCXWCBOX-UHFFFAOYSA-N
MW355.85 g/mol
LogP5.25
Rot. Bonds3

About 7-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-1H-indole-2-carboxamide

7-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-1H-indole-2-carboxamide (PubChem CID 108745567) has the molecular formula C18H14ClN3OS and a molecular weight of 355.85 g/mol. Its IUPAC name is 7-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-1H-indole-2-carboxamide
PubChem CID108745567
Molecular FormulaC18H14ClN3OS
Molecular Weight355.85 g/mol
Exact Mass355.05
IUPAC Name7-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-1H-indole-2-carboxamide
SMILESCCc1ccc2nc(NC(=O)c3cc4cccc(Cl)c4[nH]3)sc2c1
InChIInChI=1S/C18H14ClN3OS/c1-2-10-6-7-13-15(8-10)24-18(21-13)22-17(23)14-9-11-4-3-5-12(19)16(11)20-14/h3-9,20H,2H2,1H3,(H,21,22,23)
InChIKeyYZRJZIQCXWCBOX-UHFFFAOYSA-N
XLogP5.25
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.85
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide
CID 108804079
6-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 26243830
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-4-ethylbenzamide
CID 17100920
N-(6-tert-butyl-1,3-benzothiazol-2-yl)-4-ethylbenzamide
CID 53269145
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1H-pyrrolo[3,2-h]quinoline-2-carboxamide
CID 20925611
N-(6-ethyl-1,3-benzothiazol-2-yl)butanamide
CID 2410170
3-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-2,2-dimethylpropanamide
CID 108767769
7-chloro-1H-indole-2-carbohydrazide
CID 13466352
N-(6-ethyl-1,3-benzothiazol-2-yl)-2,4,5-trimethoxybenzamide
CID 2452584
1-[2-chloro-4-(trifluoromethyl)phenyl]-3-(6-ethyl-1,3-benzothiazol-2-yl)urea
CID 127028892
4-ethyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
CID 2991104
4-(diethylsulfamoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide
CID 8873954

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-1H-indole-2-carboxamide?
The IUPAC name of 7-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-1H-indole-2-carboxamide (CID 108745567) is 7-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 7-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 7-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-1H-indole-2-carboxamide is CCc1ccc2nc(NC(=O)c3cc4cccc(Cl)c4[nH]3)sc2c1.
What is the InChIKey of 7-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-1H-indole-2-carboxamide?
The InChIKey is YZRJZIQCXWCBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3OS/c1-2-10-6-7-13-15(8-10)24-18(21-13)22-17(23)14-9-11-4-3-5-12(19)16(11)20-14/h3-9,20H,2H2,1H3,(H,21,22,23).
What are the key properties of 7-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-1H-indole-2-carboxamide?
7-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-1H-indole-2-carboxamide has a molecular weight of 355.85 g/mol, XLogP of 5.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 108745567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).