(Z)-2-cyano-N-(1-phenylpropyl)-3-(thiadiazol-4-yl)prop-2-enamide

C15H14N4OS — CID 166405025

IUPAC(Z)-2-cyano-N-(1-phenylpropyl)-3-(thiadiazol-4-yl)prop-2-enamide
SMILESCCC(NC(=O)/C(C#N)=C\c1csnn1)c1ccccc1
InChIInChI=1S/C15H14N4OS/c1-2-14(11-6-4-3-5-7-11)17-15(20)12(9-16)8-13-10-21-19-18-13/h3-8,10,14H,2H2,1H3,(H,17,20)/b12-8-
InChIKeyGABHPNAVHLEMPN-WQLSENKSSA-N
MW298.37 g/mol
LogP2.71
Rot. Bonds5

About (Z)-2-cyano-N-(1-phenylpropyl)-3-(thiadiazol-4-yl)prop-2-enamide

(Z)-2-cyano-N-(1-phenylpropyl)-3-(thiadiazol-4-yl)prop-2-enamide (PubChem CID 166405025) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is (Z)-2-cyano-N-(1-phenylpropyl)-3-(thiadiazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(1-phenylpropyl)-3-(thiadiazol-4-yl)prop-2-enamide
PubChem CID166405025
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name(Z)-2-cyano-N-(1-phenylpropyl)-3-(thiadiazol-4-yl)prop-2-enamide
SMILESCCC(NC(=O)/C(C#N)=C\c1csnn1)c1ccccc1
InChIInChI=1S/C15H14N4OS/c1-2-14(11-6-4-3-5-7-11)17-15(20)12(9-16)8-13-10-21-19-18-13/h3-8,10,14H,2H2,1H3,(H,17,20)/b12-8-
InChIKeyGABHPNAVHLEMPN-WQLSENKSSA-N
XLogP2.71
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(6-bromo-2-pyridinyl)-2-cyano-N-[(1S)-1-phenylpropyl]prop-2-enamide;methane;sulfane
CID 160654780
(E)-N-benzyl-2-cyano-3-(thiadiazol-4-yl)prop-2-enamide
CID 47203643
(E)-2-cyano-N-[(1S)-1-phenylbutyl]-3-thiophen-3-ylprop-2-enamide
CID 59578751
2-cyano-N-(1-phenylbutyl)-3-quinolin-2-ylprop-2-enamide
CID 123441763
(E)-2-cyano-3-(6-iodo-2-pyridinyl)-N-[(1S)-1-phenylbutyl]prop-2-enamide
CID 88571631
(E)-N-(2-chlorophenyl)-2-cyano-3-(thiadiazol-4-yl)prop-2-enamide
CID 47203646
(E)-2-cyano-N-(1-phenylbutyl)-3-(1,3,5-triazin-2-yl)prop-2-enamide
CID 56947534
(E)-2-cyano-3-(8-hydroxyquinolin-2-yl)-N-(1-phenylbutyl)prop-2-enamide
CID 122462004
(E)-3-(8-chloroquinolin-2-yl)-2-cyano-N-(1-phenylbutyl)prop-2-enamide
CID 122462003
methyl (4S)-4-[[(E)-3-(6-bromo-2-pyridinyl)-2-cyanoprop-2-enoyl]amino]-4-phenylbutanoate
CID 89014726
2-cyano-3-(3,4-dimethoxyphenyl)-N-[(1S)-1-phenylbutyl]prop-2-enamide
CID 90822008
(E)-2-cyano-N-[(1S)-1-phenylbutyl]-3-quinolin-4-ylprop-2-enamide
CID 24992578

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(1-phenylpropyl)-3-(thiadiazol-4-yl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(1-phenylpropyl)-3-(thiadiazol-4-yl)prop-2-enamide (CID 166405025) is (Z)-2-cyano-N-(1-phenylpropyl)-3-(thiadiazol-4-yl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(1-phenylpropyl)-3-(thiadiazol-4-yl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(1-phenylpropyl)-3-(thiadiazol-4-yl)prop-2-enamide is CCC(NC(=O)/C(C#N)=C\c1csnn1)c1ccccc1.
What is the InChIKey of (Z)-2-cyano-N-(1-phenylpropyl)-3-(thiadiazol-4-yl)prop-2-enamide?
The InChIKey is GABHPNAVHLEMPN-WQLSENKSSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-2-14(11-6-4-3-5-7-11)17-15(20)12(9-16)8-13-10-21-19-18-13/h3-8,10,14H,2H2,1H3,(H,17,20)/b12-8-.
What are the key properties of (Z)-2-cyano-N-(1-phenylpropyl)-3-(thiadiazol-4-yl)prop-2-enamide?
(Z)-2-cyano-N-(1-phenylpropyl)-3-(thiadiazol-4-yl)prop-2-enamide has a molecular weight of 298.37 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(1-phenylpropyl)-3-(thiadiazol-4-yl)prop-2-enamide is sourced from PubChem (CID 166405025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).