2-cyclopentyl-3-(6-sulfanylidene-1H-pyridin-3-yl)-N-(1,3-thiazol-2-yl)propanamide

C16H19N3OS2 — CID 87417720

IUPAC2-cyclopentyl-3-(6-sulfanylidene-1H-pyridin-3-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(Nc1nccs1)C(Cc1ccc(=S)[nH]c1)C1CCCC1
InChIInChI=1S/C16H19N3OS2/c20-15(19-16-17-7-8-22-16)13(12-3-1-2-4-12)9-11-5-6-14(21)18-10-11/h5-8,10,12-13H,1-4,9H2,(H,18,21)(H,17,19,20)
InChIKeyLXPPHLSBVPCLLV-UHFFFAOYSA-N
MW333.48 g/mol
LogP4.19
Rot. Bonds5

About 2-cyclopentyl-3-(6-sulfanylidene-1H-pyridin-3-yl)-N-(1,3-thiazol-2-yl)propanamide

2-cyclopentyl-3-(6-sulfanylidene-1H-pyridin-3-yl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 87417720) has the molecular formula C16H19N3OS2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-cyclopentyl-3-(6-sulfanylidene-1H-pyridin-3-yl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-cyclopentyl-3-(6-sulfanylidene-1H-pyridin-3-yl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID87417720
Molecular FormulaC16H19N3OS2
Molecular Weight333.48 g/mol
Exact Mass333.10
IUPAC Name2-cyclopentyl-3-(6-sulfanylidene-1H-pyridin-3-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(Nc1nccs1)C(Cc1ccc(=S)[nH]c1)C1CCCC1
InChIInChI=1S/C16H19N3OS2/c20-15(19-16-17-7-8-22-16)13(12-3-1-2-4-12)9-11-5-6-14(21)18-10-11/h5-8,10,12-13H,1-4,9H2,(H,18,21)(H,17,19,20)
InChIKeyLXPPHLSBVPCLLV-UHFFFAOYSA-N
XLogP4.19
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide
CID 141028315
(2S)-2-acetamido-2-cyclopentyl-N-(1,3-thiazol-2-yl)acetamide
CID 25363384
3-cyclopentyl-2-pyridin-4-yl-N-(1,3-thiazol-2-yl)propanamide
CID 10171778
3-cyclohexyl-2-(3,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 142018521
(2R)-2-bromo-3-(4-bromophenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 1184208
3-cyclopentyl-2-(4-isocyanophenyl)-N-(1,3-thiazol-2-yl)propanamide;methane
CID 157066316
3-cyclopentyl-2-(4-methylsulfinylphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 22315147
3-cyclopentyl-2-[4-(1H-imidazol-2-ylsulfonyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide
CID 22467915
(2R)-2-amino-3-(4-hydroxyphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 104904532
3-phenyl-2-sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 169288578
methyl 4-[3-cyclopentyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]benzoate
CID 20707097
3-cyclopentyl-N-(1,3-thiazol-2-yl)-2-(4-thiophen-2-ylphenyl)propanamide
CID 22467925

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-3-(6-sulfanylidene-1H-pyridin-3-yl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-cyclopentyl-3-(6-sulfanylidene-1H-pyridin-3-yl)-N-(1,3-thiazol-2-yl)propanamide (CID 87417720) is 2-cyclopentyl-3-(6-sulfanylidene-1H-pyridin-3-yl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-cyclopentyl-3-(6-sulfanylidene-1H-pyridin-3-yl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-cyclopentyl-3-(6-sulfanylidene-1H-pyridin-3-yl)-N-(1,3-thiazol-2-yl)propanamide is O=C(Nc1nccs1)C(Cc1ccc(=S)[nH]c1)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-3-(6-sulfanylidene-1H-pyridin-3-yl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is LXPPHLSBVPCLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS2/c20-15(19-16-17-7-8-22-16)13(12-3-1-2-4-12)9-11-5-6-14(21)18-10-11/h5-8,10,12-13H,1-4,9H2,(H,18,21)(H,17,19,20).
What are the key properties of 2-cyclopentyl-3-(6-sulfanylidene-1H-pyridin-3-yl)-N-(1,3-thiazol-2-yl)propanamide?
2-cyclopentyl-3-(6-sulfanylidene-1H-pyridin-3-yl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 333.48 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-3-(6-sulfanylidene-1H-pyridin-3-yl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 87417720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).