(Z)-2-cyano-N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-3-thiophen-2-ylprop-2-enamide

C12H10N4OS3 — CID 170916221

IUPAC(Z)-2-cyano-N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-3-thiophen-2-ylprop-2-enamide
SMILESCCSc1nsc(NC(=O)/C(C#N)=C\c2cccs2)n1
InChIInChI=1S/C12H10N4OS3/c1-2-18-12-15-11(20-16-12)14-10(17)8(7-13)6-9-4-3-5-19-9/h3-6H,2H2,1H3,(H,14,15,16,17)/b8-6-
InChIKeyOACQTRSUZXVTOW-VURMDHGXSA-N
MW322.44 g/mol
LogP3.26
Rot. Bonds5

About (Z)-2-cyano-N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-3-thiophen-2-ylprop-2-enamide

(Z)-2-cyano-N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-3-thiophen-2-ylprop-2-enamide (PubChem CID 170916221) has the molecular formula C12H10N4OS3 and a molecular weight of 322.44 g/mol. Its IUPAC name is (Z)-2-cyano-N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-3-thiophen-2-ylprop-2-enamide
PubChem CID170916221
Molecular FormulaC12H10N4OS3
Molecular Weight322.44 g/mol
Exact Mass322.00
IUPAC Name(Z)-2-cyano-N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-3-thiophen-2-ylprop-2-enamide
SMILESCCSc1nsc(NC(=O)/C(C#N)=C\c2cccs2)n1
InChIInChI=1S/C12H10N4OS3/c1-2-18-12-15-11(20-16-12)14-10(17)8(7-13)6-9-4-3-5-19-9/h3-6H,2H2,1H3,(H,14,15,16,17)/b8-6-
InChIKeyOACQTRSUZXVTOW-VURMDHGXSA-N
XLogP3.26
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.44
LogP ≤ 53.26
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-N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-3-thiophen-2-ylprop-2-enamide with MolForge

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Related Compounds

(E)-2-cyano-N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-3-naphthalen-1-ylprop-2-enamide
CID 170916977
[2-chloro-4-[(Z)-2-cyano-3-[(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)amino]-3-oxoprop-1-enyl]phenyl] thiophene-2-carboxylate
CID 170915918
(Z)-2-cyano-N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-3-[1-(4-methoxyphenyl)pyrrol-2-yl]prop-2-enamide
CID 170915798
(E)-2-cyano-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide
CID 2362469
(Z)-3-[5-(4-chlorophenyl)furan-2-yl]-2-cyano-N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)prop-2-enamide
CID 170916158
(Z)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyano-N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)prop-2-enamide
CID 170916278
(Z)-2-cyano-N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-3-[5-(furan-2-ylmethylsulfanyl)furan-2-yl]prop-2-enamide
CID 170918619
(Z)-2-cyano-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylprop-2-enamide
CID 170917046
[2-chloro-4-[2-cyano-3-[(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)amino]-3-oxoprop-1-enyl]phenyl] furan-2-carboxylate
CID 171331844
2-cyano-3-(4-hydroxyphenyl)-N-[3-(2-methylpropylsulfanyl)-1,2,4-thiadiazol-5-yl]prop-2-enamide
CID 171331852
(Z)-2-cyano-3-(4-methylphenyl)-N-[3-(2-methylpropylsulfanyl)-1,2,4-thiadiazol-5-yl]prop-2-enamide
CID 170915979
(Z)-2-cyano-3-[3,5-dimethoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]-N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)prop-2-enamide
CID 170916567

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-3-thiophen-2-ylprop-2-enamide (CID 170916221) is (Z)-2-cyano-N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-3-thiophen-2-ylprop-2-enamide is CCSc1nsc(NC(=O)/C(C#N)=C\c2cccs2)n1.
What is the InChIKey of (Z)-2-cyano-N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-3-thiophen-2-ylprop-2-enamide?
The InChIKey is OACQTRSUZXVTOW-VURMDHGXSA-N. The full InChI is InChI=1S/C12H10N4OS3/c1-2-18-12-15-11(20-16-12)14-10(17)8(7-13)6-9-4-3-5-19-9/h3-6H,2H2,1H3,(H,14,15,16,17)/b8-6-.
What are the key properties of (Z)-2-cyano-N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-3-thiophen-2-ylprop-2-enamide?
(Z)-2-cyano-N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-3-thiophen-2-ylprop-2-enamide has a molecular weight of 322.44 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 170916221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).