2,2-dimethyl-3-(1-methylindol-5-yl)-3-phenyl-N-(1,3-thiazol-2-yl)propanamide

C23H23N3OS — CID 59252847

IUPAC2,2-dimethyl-3-(1-methylindol-5-yl)-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCn1ccc2cc(C(c3ccccc3)C(C)(C)C(=O)Nc3nccs3)ccc21
InChIInChI=1S/C23H23N3OS/c1-23(2,21(27)25-22-24-12-14-28-22)20(16-7-5-4-6-8-16)18-9-10-19-17(15-18)11-13-26(19)3/h4-15,20H,1-3H3,(H,24,25,27)
InChIKeyXXUTYQSVRCYUDA-UHFFFAOYSA-N
MW389.52 g/mol
LogP5.43
Rot. Bonds5

About 2,2-dimethyl-3-(1-methylindol-5-yl)-3-phenyl-N-(1,3-thiazol-2-yl)propanamide

2,2-dimethyl-3-(1-methylindol-5-yl)-3-phenyl-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 59252847) has the molecular formula C23H23N3OS and a molecular weight of 389.52 g/mol. Its IUPAC name is 2,2-dimethyl-3-(1-methylindol-5-yl)-3-phenyl-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-(1-methylindol-5-yl)-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
PubChem CID59252847
Molecular FormulaC23H23N3OS
Molecular Weight389.52 g/mol
Exact Mass389.16
IUPAC Name2,2-dimethyl-3-(1-methylindol-5-yl)-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCn1ccc2cc(C(c3ccccc3)C(C)(C)C(=O)Nc3nccs3)ccc21
InChIInChI=1S/C23H23N3OS/c1-23(2,21(27)25-22-24-12-14-28-22)20(16-7-5-4-6-8-16)18-9-10-19-17(15-18)11-13-26(19)3/h4-15,20H,1-3H3,(H,24,25,27)
InChIKeyXXUTYQSVRCYUDA-UHFFFAOYSA-N
XLogP5.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.52
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(1-methylindol-5-yl)-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2,2-dimethyl-3-(1-methylindol-5-yl)-3-phenyl-N-(1,3-thiazol-2-yl)propanamide (CID 59252847) is 2,2-dimethyl-3-(1-methylindol-5-yl)-3-phenyl-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-3-(1-methylindol-5-yl)-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-3-(1-methylindol-5-yl)-3-phenyl-N-(1,3-thiazol-2-yl)propanamide is Cn1ccc2cc(C(c3ccccc3)C(C)(C)C(=O)Nc3nccs3)ccc21.
What is the InChIKey of 2,2-dimethyl-3-(1-methylindol-5-yl)-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is XXUTYQSVRCYUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3OS/c1-23(2,21(27)25-22-24-12-14-28-22)20(16-7-5-4-6-8-16)18-9-10-19-17(15-18)11-13-26(19)3/h4-15,20H,1-3H3,(H,24,25,27).
What are the key properties of 2,2-dimethyl-3-(1-methylindol-5-yl)-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
2,2-dimethyl-3-(1-methylindol-5-yl)-3-phenyl-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 389.52 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(1-methylindol-5-yl)-3-phenyl-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 59252847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).