(4Z)-2-amino-5-methylidene-4-(4-methylpent-1-en-3-ylidene)thiophene-3-carbonitrile;ethane

C14H20N2S — CID 177217152

IUPAC(4Z)-2-amino-5-methylidene-4-(4-methylpent-1-en-3-ylidene)thiophene-3-carbonitrile;ethane
SMILESC=C/C(=c1/c(C#N)c(N)sc1=C)C(C)C.CC
InChIInChI=1S/C12H14N2S.C2H6/c1-5-9(7(2)3)11-8(4)15-12(14)10(11)6-13;1-2/h5,7H,1,4,14H2,2-3H3;1-2H3/b11-9-;
InChIKeyODLIQFYZELBTRJ-KSIDEHCFSA-N
MW248.39 g/mol
LogP2.63
Rot. Bonds2

About (4Z)-2-amino-5-methylidene-4-(4-methylpent-1-en-3-ylidene)thiophene-3-carbonitrile;ethane

(4Z)-2-amino-5-methylidene-4-(4-methylpent-1-en-3-ylidene)thiophene-3-carbonitrile;ethane (PubChem CID 177217152) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is (4Z)-2-amino-5-methylidene-4-(4-methylpent-1-en-3-ylidene)thiophene-3-carbonitrile;ethane.

Molecular Properties

Compound Name(4Z)-2-amino-5-methylidene-4-(4-methylpent-1-en-3-ylidene)thiophene-3-carbonitrile;ethane
PubChem CID177217152
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC Name(4Z)-2-amino-5-methylidene-4-(4-methylpent-1-en-3-ylidene)thiophene-3-carbonitrile;ethane
SMILESC=C/C(=c1/c(C#N)c(N)sc1=C)C(C)C.CC
InChIInChI=1S/C12H14N2S.C2H6/c1-5-9(7(2)3)11-8(4)15-12(14)10(11)6-13;1-2/h5,7H,1,4,14H2,2-3H3;1-2H3/b11-9-;
InChIKeyODLIQFYZELBTRJ-KSIDEHCFSA-N
XLogP2.63
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4Z)-2-amino-5-methylidene-4-(4-methylpent-1-en-3-ylidene)thiophene-3-carbonitrile;ethane?
The IUPAC name of (4Z)-2-amino-5-methylidene-4-(4-methylpent-1-en-3-ylidene)thiophene-3-carbonitrile;ethane (CID 177217152) is (4Z)-2-amino-5-methylidene-4-(4-methylpent-1-en-3-ylidene)thiophene-3-carbonitrile;ethane.
What is the SMILES notation for (4Z)-2-amino-5-methylidene-4-(4-methylpent-1-en-3-ylidene)thiophene-3-carbonitrile;ethane?
The canonical SMILES for (4Z)-2-amino-5-methylidene-4-(4-methylpent-1-en-3-ylidene)thiophene-3-carbonitrile;ethane is C=C/C(=c1/c(C#N)c(N)sc1=C)C(C)C.CC.
What is the InChIKey of (4Z)-2-amino-5-methylidene-4-(4-methylpent-1-en-3-ylidene)thiophene-3-carbonitrile;ethane?
The InChIKey is ODLIQFYZELBTRJ-KSIDEHCFSA-N. The full InChI is InChI=1S/C12H14N2S.C2H6/c1-5-9(7(2)3)11-8(4)15-12(14)10(11)6-13;1-2/h5,7H,1,4,14H2,2-3H3;1-2H3/b11-9-;.
What are the key properties of (4Z)-2-amino-5-methylidene-4-(4-methylpent-1-en-3-ylidene)thiophene-3-carbonitrile;ethane?
(4Z)-2-amino-5-methylidene-4-(4-methylpent-1-en-3-ylidene)thiophene-3-carbonitrile;ethane has a molecular weight of 248.39 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-amino-5-methylidene-4-(4-methylpent-1-en-3-ylidene)thiophene-3-carbonitrile;ethane is sourced from PubChem (CID 177217152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).