3-cyclopentyl-N-(5-fluoro-1,3-thiazol-2-yl)-2-(6-methylsulfonyl-3-pyridinyl)prop-2-enamide

C17H18FN3O3S2 — CID 90794078

IUPAC3-cyclopentyl-N-(5-fluoro-1,3-thiazol-2-yl)-2-(6-methylsulfonyl-3-pyridinyl)prop-2-enamide
SMILESCS(=O)(=O)c1ccc(C(=CC2CCCC2)C(=O)Nc2ncc(F)s2)cn1
InChIInChI=1S/C17H18FN3O3S2/c1-26(23,24)15-7-6-12(9-19-15)13(8-11-4-2-3-5-11)16(22)21-17-20-10-14(18)25-17/h6-11H,2-5H2,1H3,(H,20,21,22)
InChIKeyQPJBUFZPMUFBSA-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.29
Rot. Bonds5

About 3-cyclopentyl-N-(5-fluoro-1,3-thiazol-2-yl)-2-(6-methylsulfonyl-3-pyridinyl)prop-2-enamide

3-cyclopentyl-N-(5-fluoro-1,3-thiazol-2-yl)-2-(6-methylsulfonyl-3-pyridinyl)prop-2-enamide (PubChem CID 90794078) has the molecular formula C17H18FN3O3S2 and a molecular weight of 395.48 g/mol. Its IUPAC name is 3-cyclopentyl-N-(5-fluoro-1,3-thiazol-2-yl)-2-(6-methylsulfonyl-3-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name3-cyclopentyl-N-(5-fluoro-1,3-thiazol-2-yl)-2-(6-methylsulfonyl-3-pyridinyl)prop-2-enamide
PubChem CID90794078
Molecular FormulaC17H18FN3O3S2
Molecular Weight395.48 g/mol
Exact Mass395.08
IUPAC Name3-cyclopentyl-N-(5-fluoro-1,3-thiazol-2-yl)-2-(6-methylsulfonyl-3-pyridinyl)prop-2-enamide
SMILESCS(=O)(=O)c1ccc(C(=CC2CCCC2)C(=O)Nc2ncc(F)s2)cn1
InChIInChI=1S/C17H18FN3O3S2/c1-26(23,24)15-7-6-12(9-19-15)13(8-11-4-2-3-5-11)16(22)21-17-20-10-14(18)25-17/h6-11H,2-5H2,1H3,(H,20,21,22)
InChIKeyQPJBUFZPMUFBSA-UHFFFAOYSA-N
XLogP3.29
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-cyclopentyl-N-(5-fluoro-1,3-thiazol-2-yl)-2-(6-methylsulfonyl-3-pyridinyl)prop-2-enamide with MolForge

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Related Compounds

3-cyclopentyl-2-(6-cyclopropylsulfonyl-3-pyridinyl)-N-(5-fluoro-1,3-thiazol-2-yl)prop-2-enamide
CID 85122297
CID 87419485
CID 87419485
(E)-3-cyclopentyl-2-(6-ethylsulfonyl-3-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide
CID 142933322
3-cyclopentyl-2-(6-ethylsulfonyl-3-pyridinyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 91341147
N-(5-bromo-1,3-thiazol-2-yl)-3-cyclopentyl-2-(6-methylsulfanyl-3-pyridinyl)prop-2-enamide
CID 91442219
(E)-3-cyclopentyl-2-[6-(methanesulfonamido)-3-pyridinyl]-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 11741248
[5-[3-[(5-chloro-1,3-thiazol-2-yl)amino]-1-cyclopentyl-3-oxoprop-1-en-2-yl]-2-pyridinyl]carbamic acid
CID 173075918
3-cyclohexyl-2-(6-methylsulfonyl-3-pyridinyl)prop-2-en-1-ol
CID 67484994
(E)-3-cyclopentyl-2-[6-(methylamino)-3-pyridinyl]-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 10359163
(E)-2-(5-chloro-6-methylsulfinyl-3-pyridinyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-cyclopentylprop-2-enamide
CID 10477775
(E)-3-[(3R,4S)-3,4-difluorocyclopentyl]-N-[5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-yl]-2-(4-methylsulfonylphenyl)prop-2-enamide
CID 87324939
2-[2-cyclopentyl-1-(6-methylsulfonyl-3-pyridinyl)ethenyl]-1H-pyrrolo[2,3-b]pyridine
CID 67229120

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-(5-fluoro-1,3-thiazol-2-yl)-2-(6-methylsulfonyl-3-pyridinyl)prop-2-enamide?
The IUPAC name of 3-cyclopentyl-N-(5-fluoro-1,3-thiazol-2-yl)-2-(6-methylsulfonyl-3-pyridinyl)prop-2-enamide (CID 90794078) is 3-cyclopentyl-N-(5-fluoro-1,3-thiazol-2-yl)-2-(6-methylsulfonyl-3-pyridinyl)prop-2-enamide.
What is the SMILES notation for 3-cyclopentyl-N-(5-fluoro-1,3-thiazol-2-yl)-2-(6-methylsulfonyl-3-pyridinyl)prop-2-enamide?
The canonical SMILES for 3-cyclopentyl-N-(5-fluoro-1,3-thiazol-2-yl)-2-(6-methylsulfonyl-3-pyridinyl)prop-2-enamide is CS(=O)(=O)c1ccc(C(=CC2CCCC2)C(=O)Nc2ncc(F)s2)cn1.
What is the InChIKey of 3-cyclopentyl-N-(5-fluoro-1,3-thiazol-2-yl)-2-(6-methylsulfonyl-3-pyridinyl)prop-2-enamide?
The InChIKey is QPJBUFZPMUFBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3S2/c1-26(23,24)15-7-6-12(9-19-15)13(8-11-4-2-3-5-11)16(22)21-17-20-10-14(18)25-17/h6-11H,2-5H2,1H3,(H,20,21,22).
What are the key properties of 3-cyclopentyl-N-(5-fluoro-1,3-thiazol-2-yl)-2-(6-methylsulfonyl-3-pyridinyl)prop-2-enamide?
3-cyclopentyl-N-(5-fluoro-1,3-thiazol-2-yl)-2-(6-methylsulfonyl-3-pyridinyl)prop-2-enamide has a molecular weight of 395.48 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-(5-fluoro-1,3-thiazol-2-yl)-2-(6-methylsulfonyl-3-pyridinyl)prop-2-enamide is sourced from PubChem (CID 90794078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).