6-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide

C20H16ClN3O3S — CID 55628624

IUPAC6-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)c3cc4ccc(Cl)cc4[nH]3)n2)c1
InChIInChI=1S/C20H16ClN3O3S/c1-26-13-5-6-18(27-2)14(9-13)17-10-28-20(23-17)24-19(25)16-7-11-3-4-12(21)8-15(11)22-16/h3-10,22H,1-2H3,(H,23,24,25)
InChIKeyIGLHWHQRZMOAOS-UHFFFAOYSA-N
MW413.89 g/mol
LogP5.21
Rot. Bonds5

About 6-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide

6-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide (PubChem CID 55628624) has the molecular formula C20H16ClN3O3S and a molecular weight of 413.89 g/mol. Its IUPAC name is 6-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide
PubChem CID55628624
Molecular FormulaC20H16ClN3O3S
Molecular Weight413.89 g/mol
Exact Mass413.06
IUPAC Name6-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)c3cc4ccc(Cl)cc4[nH]3)n2)c1
InChIInChI=1S/C20H16ClN3O3S/c1-26-13-5-6-18(27-2)14(9-13)17-10-28-20(23-17)24-19(25)16-7-11-3-4-12(21)8-15(11)22-16/h3-10,22H,1-2H3,(H,23,24,25)
InChIKeyIGLHWHQRZMOAOS-UHFFFAOYSA-N
XLogP5.21
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.89
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4,5-difluorobenzamide
CID 2114849
2-N,6-N-bis[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide
CID 3422188
5-(4-chlorophenyl)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 24608242
4-tert-butyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 3561344
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 8873073
2,3-dichloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 26242208
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 3914278
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-ethylbenzamide
CID 3255300
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 861937
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(2-methylpropanoylamino)benzamide
CID 39092880
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazine-2-carboxamide
CID 7924940
methyl 6-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate
CID 30748240

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide?
The IUPAC name of 6-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide (CID 55628624) is 6-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide is COc1ccc(OC)c(-c2csc(NC(=O)c3cc4ccc(Cl)cc4[nH]3)n2)c1.
What is the InChIKey of 6-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide?
The InChIKey is IGLHWHQRZMOAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O3S/c1-26-13-5-6-18(27-2)14(9-13)17-10-28-20(23-17)24-19(25)16-7-11-3-4-12(21)8-15(11)22-16/h3-10,22H,1-2H3,(H,23,24,25).
What are the key properties of 6-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide?
6-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide has a molecular weight of 413.89 g/mol, XLogP of 5.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 55628624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).