1-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)indole-6-carboxamide

C25H19N3O2S — CID 58694012

IUPAC1-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)indole-6-carboxamide
SMILESCOc1ccc(-n2cc(-c3nc(-c4ccccc4)cs3)c3ccc(C(N)=O)cc32)cc1
InChIInChI=1S/C25H19N3O2S/c1-30-19-10-8-18(9-11-19)28-14-21(20-12-7-17(24(26)29)13-23(20)28)25-27-22(15-31-25)16-5-3-2-4-6-16/h2-15H,1H3,(H2,26,29)
InChIKeyRBMHKBIRQRDKFB-UHFFFAOYSA-N
MW425.51 g/mol
LogP5.53
Rot. Bonds5

About 1-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)indole-6-carboxamide

1-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)indole-6-carboxamide (PubChem CID 58694012) has the molecular formula C25H19N3O2S and a molecular weight of 425.51 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)indole-6-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)indole-6-carboxamide
PubChem CID58694012
Molecular FormulaC25H19N3O2S
Molecular Weight425.51 g/mol
Exact Mass425.12
IUPAC Name1-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)indole-6-carboxamide
SMILESCOc1ccc(-n2cc(-c3nc(-c4ccccc4)cs3)c3ccc(C(N)=O)cc32)cc1
InChIInChI=1S/C25H19N3O2S/c1-30-19-10-8-18(9-11-19)28-14-21(20-12-7-17(24(26)29)13-23(20)28)25-27-22(15-31-25)16-5-3-2-4-6-16/h2-15H,1H3,(H2,26,29)
InChIKeyRBMHKBIRQRDKFB-UHFFFAOYSA-N
XLogP5.53
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.51
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)indole-6-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)indole-6-carboxamide (CID 58694012) is 1-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)indole-6-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)indole-6-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)indole-6-carboxamide is COc1ccc(-n2cc(-c3nc(-c4ccccc4)cs3)c3ccc(C(N)=O)cc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)indole-6-carboxamide?
The InChIKey is RBMHKBIRQRDKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O2S/c1-30-19-10-8-18(9-11-19)28-14-21(20-12-7-17(24(26)29)13-23(20)28)25-27-22(15-31-25)16-5-3-2-4-6-16/h2-15H,1H3,(H2,26,29).
What are the key properties of 1-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)indole-6-carboxamide?
1-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)indole-6-carboxamide has a molecular weight of 425.51 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)indole-6-carboxamide is sourced from PubChem (CID 58694012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).