N-(2-benzamido-1,3-benzothiazol-6-yl)-5-chloro-1H-indole-2-carboxamide

C23H15ClN4O2S — CID 46290900

IUPACN-(2-benzamido-1,3-benzothiazol-6-yl)-5-chloro-1H-indole-2-carboxamide
SMILESO=C(Nc1nc2ccc(NC(=O)c3cc4cc(Cl)ccc4[nH]3)cc2s1)c1ccccc1
InChIInChI=1S/C23H15ClN4O2S/c24-15-6-8-17-14(10-15)11-19(26-17)22(30)25-16-7-9-18-20(12-16)31-23(27-18)28-21(29)13-4-2-1-3-5-13/h1-12,26H,(H,25,30)(H,27,28,29)
InChIKeyNCTRITFPQFQWSZ-UHFFFAOYSA-N
MW446.92 g/mol
LogP5.94
Rot. Bonds4

About N-(2-benzamido-1,3-benzothiazol-6-yl)-5-chloro-1H-indole-2-carboxamide

N-(2-benzamido-1,3-benzothiazol-6-yl)-5-chloro-1H-indole-2-carboxamide (PubChem CID 46290900) has the molecular formula C23H15ClN4O2S and a molecular weight of 446.92 g/mol. Its IUPAC name is N-(2-benzamido-1,3-benzothiazol-6-yl)-5-chloro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(2-benzamido-1,3-benzothiazol-6-yl)-5-chloro-1H-indole-2-carboxamide
PubChem CID46290900
Molecular FormulaC23H15ClN4O2S
Molecular Weight446.92 g/mol
Exact Mass446.06
IUPAC NameN-(2-benzamido-1,3-benzothiazol-6-yl)-5-chloro-1H-indole-2-carboxamide
SMILESO=C(Nc1nc2ccc(NC(=O)c3cc4cc(Cl)ccc4[nH]3)cc2s1)c1ccccc1
InChIInChI=1S/C23H15ClN4O2S/c24-15-6-8-17-14(10-15)11-19(26-17)22(30)25-16-7-9-18-20(12-16)31-23(27-18)28-21(29)13-4-2-1-3-5-13/h1-12,26H,(H,25,30)(H,27,28,29)
InChIKeyNCTRITFPQFQWSZ-UHFFFAOYSA-N
XLogP5.94
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.92
LogP ≤ 55.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 739315
N-[6-[[2-(4-chlorophenoxy)acetyl]amino]-1,3-benzothiazol-2-yl]benzamide
CID 46290875
N-(1,3-benzothiazol-2-yl)-1H-indole-2-carboxamide
CID 43397690
N-(2-benzamido-1,3-benzothiazol-6-yl)-4-cyanobenzamide
CID 46290848
5-chloro-N-(3,4-difluorophenyl)-1H-indole-2-carboxamide
CID 113207264
N-[2-(naphthalene-2-carbonylamino)-1,3-benzothiazol-6-yl]naphthalene-2-carboxamide
CID 4025738
N-[6-[(5-chloro-2-methoxyphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]benzamide
CID 46325517
4-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 23741959
1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
CID 4651435
N-(1,3-benzothiazol-2-yl)-1-(5-chloro-1H-indole-2-carbonyl)pyrrolidine-2-carboxamide
CID 86945118
N-[2-[(3-chlorobenzoyl)amino]-1,3-benzothiazol-6-yl]-1,3-thiazole-4-carboxamide
CID 90144262
N-[6-[3-(1H-benzimidazol-2-yl)propanoylamino]-1,3-benzothiazol-2-yl]benzamide
CID 20930895

Frequently Asked Questions

What is the IUPAC name of N-(2-benzamido-1,3-benzothiazol-6-yl)-5-chloro-1H-indole-2-carboxamide?
The IUPAC name of N-(2-benzamido-1,3-benzothiazol-6-yl)-5-chloro-1H-indole-2-carboxamide (CID 46290900) is N-(2-benzamido-1,3-benzothiazol-6-yl)-5-chloro-1H-indole-2-carboxamide.
What is the SMILES notation for N-(2-benzamido-1,3-benzothiazol-6-yl)-5-chloro-1H-indole-2-carboxamide?
The canonical SMILES for N-(2-benzamido-1,3-benzothiazol-6-yl)-5-chloro-1H-indole-2-carboxamide is O=C(Nc1nc2ccc(NC(=O)c3cc4cc(Cl)ccc4[nH]3)cc2s1)c1ccccc1.
What is the InChIKey of N-(2-benzamido-1,3-benzothiazol-6-yl)-5-chloro-1H-indole-2-carboxamide?
The InChIKey is NCTRITFPQFQWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClN4O2S/c24-15-6-8-17-14(10-15)11-19(26-17)22(30)25-16-7-9-18-20(12-16)31-23(27-18)28-21(29)13-4-2-1-3-5-13/h1-12,26H,(H,25,30)(H,27,28,29).
What are the key properties of N-(2-benzamido-1,3-benzothiazol-6-yl)-5-chloro-1H-indole-2-carboxamide?
N-(2-benzamido-1,3-benzothiazol-6-yl)-5-chloro-1H-indole-2-carboxamide has a molecular weight of 446.92 g/mol, XLogP of 5.94, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzamido-1,3-benzothiazol-6-yl)-5-chloro-1H-indole-2-carboxamide is sourced from PubChem (CID 46290900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).