3-cyclopentyl-2-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)propanamide

C17H19N3O3S — CID 22315106

IUPAC3-cyclopentyl-2-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(Nc1nccs1)C(CC1CCCC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H19N3O3S/c21-16(19-17-18-9-10-24-17)15(11-12-3-1-2-4-12)13-5-7-14(8-6-13)20(22)23/h5-10,12,15H,1-4,11H2,(H,18,19,21)
InChIKeySPHMVBLDKHUISJ-UHFFFAOYSA-N
MW345.42 g/mol
LogP4.35
Rot. Bonds6

About 3-cyclopentyl-2-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)propanamide

3-cyclopentyl-2-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 22315106) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 3-cyclopentyl-2-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-2-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID22315106
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name3-cyclopentyl-2-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(Nc1nccs1)C(CC1CCCC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H19N3O3S/c21-16(19-17-18-9-10-24-17)15(11-12-3-1-2-4-12)13-5-7-14(8-6-13)20(22)23/h5-10,12,15H,1-4,11H2,(H,18,19,21)
InChIKeySPHMVBLDKHUISJ-UHFFFAOYSA-N
XLogP4.35
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-cyclopentyl-2-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)propanamide (CID 22315106) is 3-cyclopentyl-2-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-cyclopentyl-2-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-cyclopentyl-2-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)propanamide is O=C(Nc1nccs1)C(CC1CCCC1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3-cyclopentyl-2-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is SPHMVBLDKHUISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c21-16(19-17-18-9-10-24-17)15(11-12-3-1-2-4-12)13-5-7-14(8-6-13)20(22)23/h5-10,12,15H,1-4,11H2,(H,18,19,21).
What are the key properties of 3-cyclopentyl-2-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)propanamide?
3-cyclopentyl-2-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 345.42 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 22315106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).