(E)-2-(5-chloro-6-methylsulfinyl-3-pyridinyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-cyclopentylprop-2-enamide

C17H17Cl2N3O2S2 — CID 10477775

IUPAC(E)-2-(5-chloro-6-methylsulfinyl-3-pyridinyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-cyclopentylprop-2-enamide
SMILESCS(=O)c1ncc(/C(=C\C2CCCC2)C(=O)Nc2ncc(Cl)s2)cc1Cl
InChIInChI=1S/C17H17Cl2N3O2S2/c1-26(24)16-13(18)7-11(8-20-16)12(6-10-4-2-3-5-10)15(23)22-17-21-9-14(19)25-17/h6-10H,2-5H2,1H3,(H,21,22,23)/b12-6+
InChIKeyINLJRVONCBTKDV-WUXMJOGZSA-N
MW430.38 g/mol
LogP4.79
Rot. Bonds5

About (E)-2-(5-chloro-6-methylsulfinyl-3-pyridinyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-cyclopentylprop-2-enamide

(E)-2-(5-chloro-6-methylsulfinyl-3-pyridinyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-cyclopentylprop-2-enamide (PubChem CID 10477775) has the molecular formula C17H17Cl2N3O2S2 and a molecular weight of 430.38 g/mol. Its IUPAC name is (E)-2-(5-chloro-6-methylsulfinyl-3-pyridinyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-cyclopentylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-(5-chloro-6-methylsulfinyl-3-pyridinyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-cyclopentylprop-2-enamide
PubChem CID10477775
Molecular FormulaC17H17Cl2N3O2S2
Molecular Weight430.38 g/mol
Exact Mass429.01
IUPAC Name(E)-2-(5-chloro-6-methylsulfinyl-3-pyridinyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-cyclopentylprop-2-enamide
SMILESCS(=O)c1ncc(/C(=C\C2CCCC2)C(=O)Nc2ncc(Cl)s2)cc1Cl
InChIInChI=1S/C17H17Cl2N3O2S2/c1-26(24)16-13(18)7-11(8-20-16)12(6-10-4-2-3-5-10)15(23)22-17-21-9-14(19)25-17/h6-10H,2-5H2,1H3,(H,21,22,23)/b12-6+
InChIKeyINLJRVONCBTKDV-WUXMJOGZSA-N
XLogP4.79
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.38
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-2-(5-chloro-6-methylsulfinyl-3-pyridinyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-cyclopentylprop-2-enamide with MolForge

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Launch Full Analysis

Related Compounds

[5-[3-[(5-chloro-1,3-thiazol-2-yl)amino]-1-cyclopentyl-3-oxoprop-1-en-2-yl]-2-pyridinyl]carbamic acid
CID 173075918
2-(5-chloro-6-propylsulfinyl-3-pyridinyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 85153860
3-cyclopentyl-N-(5-fluoro-1,3-thiazol-2-yl)-2-(6-methylsulfonyl-3-pyridinyl)prop-2-enamide
CID 90794078
N-(5-bromo-1,3-thiazol-2-yl)-3-cyclopentyl-2-(6-methylsulfanyl-3-pyridinyl)prop-2-enamide
CID 91442219
CID 87419485
CID 87419485
3-cyclopentyl-2-(6-cyclopropylsulfonyl-3-pyridinyl)-N-(5-fluoro-1,3-thiazol-2-yl)prop-2-enamide
CID 85122297
(E)-3-cyclopentyl-2-(6-ethylsulfonyl-3-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide
CID 142933322
(E)-2-[3-chloro-4-(5-methyltetrazol-5-yl)phenyl]-3-cycloheptyl-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 87417274
2-[3-chloro-4-(5-methyltetrazol-1-yl)phenyl]-3-cyclopentyl-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 91240110
(E)-3-cyclopentyl-2-[6-(methylamino)-3-pyridinyl]-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 10359163
[5-[3-[(5-chloro-1,3-thiazol-2-yl)amino]-2-cyclopentyl-3-oxoprop-1-enyl]-2-pyridinyl]carbamic acid
CID 173075919
methyl (E)-2-(5-chloro-6-propylsulfanyl-3-pyridinyl)-3-cyclopentylprop-2-enoate
CID 67485343

Frequently Asked Questions

What is the IUPAC name of (E)-2-(5-chloro-6-methylsulfinyl-3-pyridinyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-cyclopentylprop-2-enamide?
The IUPAC name of (E)-2-(5-chloro-6-methylsulfinyl-3-pyridinyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-cyclopentylprop-2-enamide (CID 10477775) is (E)-2-(5-chloro-6-methylsulfinyl-3-pyridinyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-cyclopentylprop-2-enamide.
What is the SMILES notation for (E)-2-(5-chloro-6-methylsulfinyl-3-pyridinyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-cyclopentylprop-2-enamide?
The canonical SMILES for (E)-2-(5-chloro-6-methylsulfinyl-3-pyridinyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-cyclopentylprop-2-enamide is CS(=O)c1ncc(/C(=C\C2CCCC2)C(=O)Nc2ncc(Cl)s2)cc1Cl.
What is the InChIKey of (E)-2-(5-chloro-6-methylsulfinyl-3-pyridinyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-cyclopentylprop-2-enamide?
The InChIKey is INLJRVONCBTKDV-WUXMJOGZSA-N. The full InChI is InChI=1S/C17H17Cl2N3O2S2/c1-26(24)16-13(18)7-11(8-20-16)12(6-10-4-2-3-5-10)15(23)22-17-21-9-14(19)25-17/h6-10H,2-5H2,1H3,(H,21,22,23)/b12-6+.
What are the key properties of (E)-2-(5-chloro-6-methylsulfinyl-3-pyridinyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-cyclopentylprop-2-enamide?
(E)-2-(5-chloro-6-methylsulfinyl-3-pyridinyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-cyclopentylprop-2-enamide has a molecular weight of 430.38 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(5-chloro-6-methylsulfinyl-3-pyridinyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-cyclopentylprop-2-enamide is sourced from PubChem (CID 10477775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).