2-cyclopentyl-2-[4-(1H-indol-5-yl)phenyl]-N-(1,3-thiazol-2-yl)propanamide

C25H25N3OS — CID 141042998

IUPAC2-cyclopentyl-2-[4-(1H-indol-5-yl)phenyl]-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C(=O)Nc1nccs1)(c1ccc(-c2ccc3[nH]ccc3c2)cc1)C1CCCC1
InChIInChI=1S/C25H25N3OS/c1-25(20-4-2-3-5-20,23(29)28-24-27-14-15-30-24)21-9-6-17(7-10-21)18-8-11-22-19(16-18)12-13-26-22/h6-16,20,26H,2-5H2,1H3,(H,27,28,29)
InChIKeyCLOKOMJWYKBHSW-UHFFFAOYSA-N
MW415.56 g/mol
LogP6.38
Rot. Bonds5

About 2-cyclopentyl-2-[4-(1H-indol-5-yl)phenyl]-N-(1,3-thiazol-2-yl)propanamide

2-cyclopentyl-2-[4-(1H-indol-5-yl)phenyl]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 141042998) has the molecular formula C25H25N3OS and a molecular weight of 415.56 g/mol. Its IUPAC name is 2-cyclopentyl-2-[4-(1H-indol-5-yl)phenyl]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-cyclopentyl-2-[4-(1H-indol-5-yl)phenyl]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID141042998
Molecular FormulaC25H25N3OS
Molecular Weight415.56 g/mol
Exact Mass415.17
IUPAC Name2-cyclopentyl-2-[4-(1H-indol-5-yl)phenyl]-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C(=O)Nc1nccs1)(c1ccc(-c2ccc3[nH]ccc3c2)cc1)C1CCCC1
InChIInChI=1S/C25H25N3OS/c1-25(20-4-2-3-5-20,23(29)28-24-27-14-15-30-24)21-9-6-17(7-10-21)18-8-11-22-19(16-18)12-13-26-22/h6-16,20,26H,2-5H2,1H3,(H,27,28,29)
InChIKeyCLOKOMJWYKBHSW-UHFFFAOYSA-N
XLogP6.38
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.56
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-oxo-N-(1,3-thiazol-2-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
CID 15951676
2-[(4-Methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-5-carboxamide
CID 44143528
N-[3-(dimethylamino)propyl]-2-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-5-carboxamide
CID 44143541
Indole-based 6-membered lactam, 3b
CID 44143545
2-(1H-indol-3-yl)-2-oxo-N-(2-thiazolyl)acetamide
CID 2174681
Indole-based 6-membered lactam, 3e
CID 44143547
N-[2-(dimethylamino)ethyl]-2-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-5-carboxamide
CID 44143540
(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 72188916
2-[(2-methyl-1H-indol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 2153530
4-(7-ethyl-1H-indol-3-yl)-N-prop-2-enyl-1,3-thiazol-2-amine
CID 8902468
2-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 2107455
2-(1H-indol-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 2114820

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-[4-(1H-indol-5-yl)phenyl]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-cyclopentyl-2-[4-(1H-indol-5-yl)phenyl]-N-(1,3-thiazol-2-yl)propanamide (CID 141042998) is 2-cyclopentyl-2-[4-(1H-indol-5-yl)phenyl]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-cyclopentyl-2-[4-(1H-indol-5-yl)phenyl]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-cyclopentyl-2-[4-(1H-indol-5-yl)phenyl]-N-(1,3-thiazol-2-yl)propanamide is CC(C(=O)Nc1nccs1)(c1ccc(-c2ccc3[nH]ccc3c2)cc1)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-[4-(1H-indol-5-yl)phenyl]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is CLOKOMJWYKBHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3OS/c1-25(20-4-2-3-5-20,23(29)28-24-27-14-15-30-24)21-9-6-17(7-10-21)18-8-11-22-19(16-18)12-13-26-22/h6-16,20,26H,2-5H2,1H3,(H,27,28,29).
What are the key properties of 2-cyclopentyl-2-[4-(1H-indol-5-yl)phenyl]-N-(1,3-thiazol-2-yl)propanamide?
2-cyclopentyl-2-[4-(1H-indol-5-yl)phenyl]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 415.56 g/mol, XLogP of 6.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-[4-(1H-indol-5-yl)phenyl]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 141042998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).