(Z)-2-cyano-3-(5-cyclohexylsulfanylfuran-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide

C19H22N4O2S2 — CID 170918698

IUPAC(Z)-2-cyano-3-(5-cyclohexylsulfanylfuran-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide
SMILESCC(C)c1nnc(NC(=O)/C(C#N)=C\c2ccc(SC3CCCCC3)o2)s1
InChIInChI=1S/C19H22N4O2S2/c1-12(2)18-22-23-19(27-18)21-17(24)13(11-20)10-14-8-9-16(25-14)26-15-6-4-3-5-7-15/h8-10,12,15H,3-7H2,1-2H3,(H,21,23,24)/b13-10-
InChIKeyPIAPBFCKOAAXEY-RAXLEYEMSA-N
MW402.55 g/mol
LogP5.22
Rot. Bonds6

About (Z)-2-cyano-3-(5-cyclohexylsulfanylfuran-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide

(Z)-2-cyano-3-(5-cyclohexylsulfanylfuran-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide (PubChem CID 170918698) has the molecular formula C19H22N4O2S2 and a molecular weight of 402.55 g/mol. Its IUPAC name is (Z)-2-cyano-3-(5-cyclohexylsulfanylfuran-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(5-cyclohexylsulfanylfuran-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide
PubChem CID170918698
Molecular FormulaC19H22N4O2S2
Molecular Weight402.55 g/mol
Exact Mass402.12
IUPAC Name(Z)-2-cyano-3-(5-cyclohexylsulfanylfuran-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide
SMILESCC(C)c1nnc(NC(=O)/C(C#N)=C\c2ccc(SC3CCCCC3)o2)s1
InChIInChI=1S/C19H22N4O2S2/c1-12(2)18-22-23-19(27-18)21-17(24)13(11-20)10-14-8-9-16(25-14)26-15-6-4-3-5-7-15/h8-10,12,15H,3-7H2,1-2H3,(H,21,23,24)/b13-10-
InChIKeyPIAPBFCKOAAXEY-RAXLEYEMSA-N
XLogP5.22
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.55
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (Z)-2-cyano-3-(5-cyclohexylsulfanylfuran-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-2-cyano-3-(5-cyclohexylsulfanylfuran-2-yl)-N-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide
CID 170918465
(Z)-2-cyano-3-(5-cyclohexylsulfanylfuran-2-yl)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]prop-2-enamide
CID 170918690
2-cyano-3-[5-(2-methyl-5-nitrophenyl)furan-2-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 171333538
2-cyano-3-(4-propan-2-ylphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 2790450
3-[5-[(Z)-2-cyano-3-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)amino]-3-oxoprop-1-enyl]furan-2-yl]benzoic acid
CID 170918557
(Z)-2-cyano-3-(5-methylfuran-2-yl)-N-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 170911856
(Z)-2-cyano-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[5-(2-methyl-5-nitrophenyl)furan-2-yl]prop-2-enamide
CID 170918850
2-cyano-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3-(4-propoxyphenyl)prop-2-enamide
CID 2792674
(Z)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 170916753
(Z)-2-cyano-N-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enamide
CID 170912563
(Z)-2-cyano-3-[5-(3,4-dichlorophenyl)furan-2-yl]-N-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 170911072
3-(5-benzylsulfanylfuran-2-yl)-2-cyano-N-(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 171333596

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(5-cyclohexylsulfanylfuran-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(5-cyclohexylsulfanylfuran-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide (CID 170918698) is (Z)-2-cyano-3-(5-cyclohexylsulfanylfuran-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(5-cyclohexylsulfanylfuran-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(5-cyclohexylsulfanylfuran-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide is CC(C)c1nnc(NC(=O)/C(C#N)=C\c2ccc(SC3CCCCC3)o2)s1.
What is the InChIKey of (Z)-2-cyano-3-(5-cyclohexylsulfanylfuran-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide?
The InChIKey is PIAPBFCKOAAXEY-RAXLEYEMSA-N. The full InChI is InChI=1S/C19H22N4O2S2/c1-12(2)18-22-23-19(27-18)21-17(24)13(11-20)10-14-8-9-16(25-14)26-15-6-4-3-5-7-15/h8-10,12,15H,3-7H2,1-2H3,(H,21,23,24)/b13-10-.
What are the key properties of (Z)-2-cyano-3-(5-cyclohexylsulfanylfuran-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide?
(Z)-2-cyano-3-(5-cyclohexylsulfanylfuran-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide has a molecular weight of 402.55 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(5-cyclohexylsulfanylfuran-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 170918698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).