2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)-3-[2-(1,3-thiazol-2-yl)-1H-indol-5-yl]propanamide

C25H22N4OS2 — CID 59252806

IUPAC2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)-3-[2-(1,3-thiazol-2-yl)-1H-indol-5-yl]propanamide
SMILESCC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2[nH]c(-c3nccs3)cc2c1
InChIInChI=1S/C25H22N4OS2/c1-25(2,23(30)29-24-27-11-13-32-24)21(16-6-4-3-5-7-16)17-8-9-19-18(14-17)15-20(28-19)22-26-10-12-31-22/h3-15,21,28H,1-2H3,(H,27,29,30)
InChIKeyRZUWQSCVZOTHCR-UHFFFAOYSA-N
MW458.61 g/mol
LogP6.54
Rot. Bonds6

About 2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)-3-[2-(1,3-thiazol-2-yl)-1H-indol-5-yl]propanamide

2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)-3-[2-(1,3-thiazol-2-yl)-1H-indol-5-yl]propanamide (PubChem CID 59252806) has the molecular formula C25H22N4OS2 and a molecular weight of 458.61 g/mol. Its IUPAC name is 2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)-3-[2-(1,3-thiazol-2-yl)-1H-indol-5-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)-3-[2-(1,3-thiazol-2-yl)-1H-indol-5-yl]propanamide
PubChem CID59252806
Molecular FormulaC25H22N4OS2
Molecular Weight458.61 g/mol
Exact Mass458.12
IUPAC Name2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)-3-[2-(1,3-thiazol-2-yl)-1H-indol-5-yl]propanamide
SMILESCC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2[nH]c(-c3nccs3)cc2c1
InChIInChI=1S/C25H22N4OS2/c1-25(2,23(30)29-24-27-11-13-32-24)21(16-6-4-3-5-7-16)17-8-9-19-18(14-17)15-20(28-19)22-26-10-12-31-22/h3-15,21,28H,1-2H3,(H,27,29,30)
InChIKeyRZUWQSCVZOTHCR-UHFFFAOYSA-N
XLogP6.54
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.61
LogP ≤ 56.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)-3-[2-(1,3-thiazol-2-yl)-1H-indol-5-yl]propanamide?
The IUPAC name of 2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)-3-[2-(1,3-thiazol-2-yl)-1H-indol-5-yl]propanamide (CID 59252806) is 2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)-3-[2-(1,3-thiazol-2-yl)-1H-indol-5-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)-3-[2-(1,3-thiazol-2-yl)-1H-indol-5-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)-3-[2-(1,3-thiazol-2-yl)-1H-indol-5-yl]propanamide is CC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2[nH]c(-c3nccs3)cc2c1.
What is the InChIKey of 2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)-3-[2-(1,3-thiazol-2-yl)-1H-indol-5-yl]propanamide?
The InChIKey is RZUWQSCVZOTHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4OS2/c1-25(2,23(30)29-24-27-11-13-32-24)21(16-6-4-3-5-7-16)17-8-9-19-18(14-17)15-20(28-19)22-26-10-12-31-22/h3-15,21,28H,1-2H3,(H,27,29,30).
What are the key properties of 2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)-3-[2-(1,3-thiazol-2-yl)-1H-indol-5-yl]propanamide?
2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)-3-[2-(1,3-thiazol-2-yl)-1H-indol-5-yl]propanamide has a molecular weight of 458.61 g/mol, XLogP of 6.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)-3-[2-(1,3-thiazol-2-yl)-1H-indol-5-yl]propanamide is sourced from PubChem (CID 59252806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).