2-cyano-N-(3-methoxypropyl)-3-(2-thiophen-3-yl-1,3-thiazol-4-yl)prop-2-enamide

C15H15N3O2S2 — CID 75268719

IUPAC2-cyano-N-(3-methoxypropyl)-3-(2-thiophen-3-yl-1,3-thiazol-4-yl)prop-2-enamide
SMILESCOCCCNC(=O)C(C#N)=Cc1csc(-c2ccsc2)n1
InChIInChI=1S/C15H15N3O2S2/c1-20-5-2-4-17-14(19)12(8-16)7-13-10-22-15(18-13)11-3-6-21-9-11/h3,6-7,9-10H,2,4-5H2,1H3,(H,17,19)
InChIKeyBEEBDYBYQIOLCN-UHFFFAOYSA-N
MW333.44 g/mol
LogP2.93
Rot. Bonds7

About 2-cyano-N-(3-methoxypropyl)-3-(2-thiophen-3-yl-1,3-thiazol-4-yl)prop-2-enamide

2-cyano-N-(3-methoxypropyl)-3-(2-thiophen-3-yl-1,3-thiazol-4-yl)prop-2-enamide (PubChem CID 75268719) has the molecular formula C15H15N3O2S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-cyano-N-(3-methoxypropyl)-3-(2-thiophen-3-yl-1,3-thiazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name2-cyano-N-(3-methoxypropyl)-3-(2-thiophen-3-yl-1,3-thiazol-4-yl)prop-2-enamide
PubChem CID75268719
Molecular FormulaC15H15N3O2S2
Molecular Weight333.44 g/mol
Exact Mass333.06
IUPAC Name2-cyano-N-(3-methoxypropyl)-3-(2-thiophen-3-yl-1,3-thiazol-4-yl)prop-2-enamide
SMILESCOCCCNC(=O)C(C#N)=Cc1csc(-c2ccsc2)n1
InChIInChI=1S/C15H15N3O2S2/c1-20-5-2-4-17-14(19)12(8-16)7-13-10-22-15(18-13)11-3-6-21-9-11/h3,6-7,9-10H,2,4-5H2,1H3,(H,17,19)
InChIKeyBEEBDYBYQIOLCN-UHFFFAOYSA-N
XLogP2.93
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-cyano-N-(3-methoxypropyl)-3-(2-thiophen-3-yl-1,3-thiazol-4-yl)prop-2-enamide
CID 47495576
2-methoxyethyl (Z)-2-cyano-3-(2-thiophen-3-yl-1,3-thiazol-4-yl)prop-2-enoate
CID 60582978
2-cyano-N-(3-ethoxypropyl)-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)prop-2-enamide
CID 72686315
(Z)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyano-3-(2-thiophen-3-yl-1,3-thiazol-4-yl)prop-2-enamide
CID 47495232
(E)-2-cyano-N-(3-methoxypropyl)-3-quinoxalin-2-ylprop-2-enamide
CID 9365550
2-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylidene]propanedinitrile
CID 47393622
2-cyano-N-(3-methoxypropyl)-3-(4-methylphenyl)prop-2-enamide
CID 4549023
(E)-2-cyano-3-(4-cyanophenyl)-N-(3-methoxypropyl)prop-2-enamide
CID 6214109
N-(3-methoxypropyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 46628023
(E)-2-cyano-N-(3-methoxypropyl)-3-naphthalen-1-ylprop-2-enamide
CID 6214104
(E)-2-cyano-3-(3,4-dichlorophenyl)-N-(3-methoxypropyl)prop-2-enamide
CID 6292148
3-(4-tert-butylphenyl)-2-cyano-N-(3-methoxypropyl)prop-2-enamide
CID 3749505

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(3-methoxypropyl)-3-(2-thiophen-3-yl-1,3-thiazol-4-yl)prop-2-enamide?
The IUPAC name of 2-cyano-N-(3-methoxypropyl)-3-(2-thiophen-3-yl-1,3-thiazol-4-yl)prop-2-enamide (CID 75268719) is 2-cyano-N-(3-methoxypropyl)-3-(2-thiophen-3-yl-1,3-thiazol-4-yl)prop-2-enamide.
What is the SMILES notation for 2-cyano-N-(3-methoxypropyl)-3-(2-thiophen-3-yl-1,3-thiazol-4-yl)prop-2-enamide?
The canonical SMILES for 2-cyano-N-(3-methoxypropyl)-3-(2-thiophen-3-yl-1,3-thiazol-4-yl)prop-2-enamide is COCCCNC(=O)C(C#N)=Cc1csc(-c2ccsc2)n1.
What is the InChIKey of 2-cyano-N-(3-methoxypropyl)-3-(2-thiophen-3-yl-1,3-thiazol-4-yl)prop-2-enamide?
The InChIKey is BEEBDYBYQIOLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S2/c1-20-5-2-4-17-14(19)12(8-16)7-13-10-22-15(18-13)11-3-6-21-9-11/h3,6-7,9-10H,2,4-5H2,1H3,(H,17,19).
What are the key properties of 2-cyano-N-(3-methoxypropyl)-3-(2-thiophen-3-yl-1,3-thiazol-4-yl)prop-2-enamide?
2-cyano-N-(3-methoxypropyl)-3-(2-thiophen-3-yl-1,3-thiazol-4-yl)prop-2-enamide has a molecular weight of 333.44 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3-methoxypropyl)-3-(2-thiophen-3-yl-1,3-thiazol-4-yl)prop-2-enamide is sourced from PubChem (CID 75268719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).