1H-indole;1-(1-phenylethyl)-N-(1,3-thiazol-2-yl)indole-3-carboxamide

C28H24N4OS — CID 87417797

IUPAC1H-indole;1-(1-phenylethyl)-N-(1,3-thiazol-2-yl)indole-3-carboxamide
SMILESCC(c1ccccc1)n1cc(C(=O)Nc2nccs2)c2ccccc21.c1ccc2[nH]ccc2c1
InChIInChI=1S/C20H17N3OS.C8H7N/c1-14(15-7-3-2-4-8-15)23-13-17(16-9-5-6-10-18(16)23)19(24)22-20-21-11-12-25-20;1-2-4-8-7(3-1)5-6-9-8/h2-14H,1H3,(H,21,22,24);1-6,9H
InChIKeyZTHGRRKMKDHRMV-UHFFFAOYSA-N
MW464.59 g/mol
LogP7.13
Rot. Bonds4

About 1H-indole;1-(1-phenylethyl)-N-(1,3-thiazol-2-yl)indole-3-carboxamide

1H-indole;1-(1-phenylethyl)-N-(1,3-thiazol-2-yl)indole-3-carboxamide (PubChem CID 87417797) has the molecular formula C28H24N4OS and a molecular weight of 464.59 g/mol. Its IUPAC name is 1H-indole;1-(1-phenylethyl)-N-(1,3-thiazol-2-yl)indole-3-carboxamide.

Molecular Properties

Compound Name1H-indole;1-(1-phenylethyl)-N-(1,3-thiazol-2-yl)indole-3-carboxamide
PubChem CID87417797
Molecular FormulaC28H24N4OS
Molecular Weight464.59 g/mol
Exact Mass464.17
IUPAC Name1H-indole;1-(1-phenylethyl)-N-(1,3-thiazol-2-yl)indole-3-carboxamide
SMILESCC(c1ccccc1)n1cc(C(=O)Nc2nccs2)c2ccccc21.c1ccc2[nH]ccc2c1
InChIInChI=1S/C20H17N3OS.C8H7N/c1-14(15-7-3-2-4-8-15)23-13-17(16-9-5-6-10-18(16)23)19(24)22-20-21-11-12-25-20;1-2-4-8-7(3-1)5-6-9-8/h2-14H,1H3,(H,21,22,24);1-6,9H
InChIKeyZTHGRRKMKDHRMV-UHFFFAOYSA-N
XLogP7.13
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.59
LogP ≤ 57.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 44143541
CID 44143541
CID 44143545
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CID 507919
CID 507919
CID 507921
CID 507921
CID 5280251
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CID 2174681
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CID 44143547
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CID 44143552
CID 44143552

Frequently Asked Questions

What is the IUPAC name of 1H-indole;1-(1-phenylethyl)-N-(1,3-thiazol-2-yl)indole-3-carboxamide?
The IUPAC name of 1H-indole;1-(1-phenylethyl)-N-(1,3-thiazol-2-yl)indole-3-carboxamide (CID 87417797) is 1H-indole;1-(1-phenylethyl)-N-(1,3-thiazol-2-yl)indole-3-carboxamide.
What is the SMILES notation for 1H-indole;1-(1-phenylethyl)-N-(1,3-thiazol-2-yl)indole-3-carboxamide?
The canonical SMILES for 1H-indole;1-(1-phenylethyl)-N-(1,3-thiazol-2-yl)indole-3-carboxamide is CC(c1ccccc1)n1cc(C(=O)Nc2nccs2)c2ccccc21.c1ccc2[nH]ccc2c1.
What is the InChIKey of 1H-indole;1-(1-phenylethyl)-N-(1,3-thiazol-2-yl)indole-3-carboxamide?
The InChIKey is ZTHGRRKMKDHRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS.C8H7N/c1-14(15-7-3-2-4-8-15)23-13-17(16-9-5-6-10-18(16)23)19(24)22-20-21-11-12-25-20;1-2-4-8-7(3-1)5-6-9-8/h2-14H,1H3,(H,21,22,24);1-6,9H.
What are the key properties of 1H-indole;1-(1-phenylethyl)-N-(1,3-thiazol-2-yl)indole-3-carboxamide?
1H-indole;1-(1-phenylethyl)-N-(1,3-thiazol-2-yl)indole-3-carboxamide has a molecular weight of 464.59 g/mol, XLogP of 7.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indole;1-(1-phenylethyl)-N-(1,3-thiazol-2-yl)indole-3-carboxamide is sourced from PubChem (CID 87417797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).