N-(2-anilino-1,3-benzothiazol-4-yl)-4,6-dichloro-1H-indole-2-carboxamide

C22H14Cl2N4OS — CID 24760169

IUPACN-(2-anilino-1,3-benzothiazol-4-yl)-4,6-dichloro-1H-indole-2-carboxamide
SMILESO=C(Nc1cccc2sc(Nc3ccccc3)nc12)c1cc2c(Cl)cc(Cl)cc2[nH]1
InChIInChI=1S/C22H14Cl2N4OS/c23-12-9-15(24)14-11-18(26-17(14)10-12)21(29)27-16-7-4-8-19-20(16)28-22(30-19)25-13-5-2-1-3-6-13/h1-11,26H,(H,25,28)(H,27,29)
InChIKeyDVGYOKVLZNTRMM-UHFFFAOYSA-N
MW453.35 g/mol
LogP7.08
Rot. Bonds4

About N-(2-anilino-1,3-benzothiazol-4-yl)-4,6-dichloro-1H-indole-2-carboxamide

N-(2-anilino-1,3-benzothiazol-4-yl)-4,6-dichloro-1H-indole-2-carboxamide (PubChem CID 24760169) has the molecular formula C22H14Cl2N4OS and a molecular weight of 453.35 g/mol. Its IUPAC name is N-(2-anilino-1,3-benzothiazol-4-yl)-4,6-dichloro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(2-anilino-1,3-benzothiazol-4-yl)-4,6-dichloro-1H-indole-2-carboxamide
PubChem CID24760169
Molecular FormulaC22H14Cl2N4OS
Molecular Weight453.35 g/mol
Exact Mass452.03
IUPAC NameN-(2-anilino-1,3-benzothiazol-4-yl)-4,6-dichloro-1H-indole-2-carboxamide
SMILESO=C(Nc1cccc2sc(Nc3ccccc3)nc12)c1cc2c(Cl)cc(Cl)cc2[nH]1
InChIInChI=1S/C22H14Cl2N4OS/c23-12-9-15(24)14-11-18(26-17(14)10-12)21(29)27-16-7-4-8-19-20(16)28-22(30-19)25-13-5-2-1-3-6-13/h1-11,26H,(H,25,28)(H,27,29)
InChIKeyDVGYOKVLZNTRMM-UHFFFAOYSA-N
XLogP7.08
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.35
LogP ≤ 57.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-anilino-1,3-benzothiazol-4-yl)-4-chloro-2-iodo-6-methylbenzamide
CID 89226752
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CID 24759889
N-(2-anilino-1,3-benzothiazol-4-yl)-3,5-dimethylbenzamide
CID 24759968
N-(2-anilino-1,3-benzothiazol-4-yl)pyrimidine-4-carboxamide
CID 24760990
4,6-dichloro-N-phenyl-1,3-benzothiazol-2-amine
CID 82549581
N-(2-anilino-1,3-benzothiazol-4-yl)-2-(3,5-difluorophenyl)acetamide
CID 24759814
4-methyl-N-(2,4,6-trichlorophenyl)-1,3-benzothiazol-2-amine
CID 79146236
1-(4-chloro-1,3-benzothiazol-2-yl)-3-(2-chlorophenyl)urea
CID 46193181
1-(4-chloro-1,3-benzothiazol-2-yl)-3-phenylthiourea
CID 3690824
2-N,6-N-bis(4,6-dichloro-1,3-benzothiazol-2-yl)pyridine-2,6-dicarboxamide
CID 43989361
N-(2-chlorophenyl)-4,6-dimethyl-1H-indole-2-carboxamide
CID 2742882
N-(4-methyl-1,3-benzothiazol-2-yl)-1-oxo-2H-isoquinoline-3-carboxamide
CID 9022865

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-1,3-benzothiazol-4-yl)-4,6-dichloro-1H-indole-2-carboxamide?
The IUPAC name of N-(2-anilino-1,3-benzothiazol-4-yl)-4,6-dichloro-1H-indole-2-carboxamide (CID 24760169) is N-(2-anilino-1,3-benzothiazol-4-yl)-4,6-dichloro-1H-indole-2-carboxamide.
What is the SMILES notation for N-(2-anilino-1,3-benzothiazol-4-yl)-4,6-dichloro-1H-indole-2-carboxamide?
The canonical SMILES for N-(2-anilino-1,3-benzothiazol-4-yl)-4,6-dichloro-1H-indole-2-carboxamide is O=C(Nc1cccc2sc(Nc3ccccc3)nc12)c1cc2c(Cl)cc(Cl)cc2[nH]1.
What is the InChIKey of N-(2-anilino-1,3-benzothiazol-4-yl)-4,6-dichloro-1H-indole-2-carboxamide?
The InChIKey is DVGYOKVLZNTRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2N4OS/c23-12-9-15(24)14-11-18(26-17(14)10-12)21(29)27-16-7-4-8-19-20(16)28-22(30-19)25-13-5-2-1-3-6-13/h1-11,26H,(H,25,28)(H,27,29).
What are the key properties of N-(2-anilino-1,3-benzothiazol-4-yl)-4,6-dichloro-1H-indole-2-carboxamide?
N-(2-anilino-1,3-benzothiazol-4-yl)-4,6-dichloro-1H-indole-2-carboxamide has a molecular weight of 453.35 g/mol, XLogP of 7.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-1,3-benzothiazol-4-yl)-4,6-dichloro-1H-indole-2-carboxamide is sourced from PubChem (CID 24760169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).