(4Z,5E)-4,5-di(ethylidene)-N-methylthiophen-3-amine

C9H13NS — CID 144626603

IUPAC(4Z,5E)-4,5-di(ethylidene)-N-methylthiophen-3-amine
SMILESC/C=c1/c(NC)cs/c1=C/C
InChIInChI=1S/C9H13NS/c1-4-7-8(10-3)6-11-9(7)5-2/h4-6,10H,1-3H3/b7-4-,9-5+
InChIKeyXCJNDHJTEJZHRO-ICDOWURLSA-N
MW167.28 g/mol
LogP1.39
Rot. Bonds1

About (4Z,5E)-4,5-di(ethylidene)-N-methylthiophen-3-amine

(4Z,5E)-4,5-di(ethylidene)-N-methylthiophen-3-amine (PubChem CID 144626603) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is (4Z,5E)-4,5-di(ethylidene)-N-methylthiophen-3-amine.

Molecular Properties

Compound Name(4Z,5E)-4,5-di(ethylidene)-N-methylthiophen-3-amine
PubChem CID144626603
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name(4Z,5E)-4,5-di(ethylidene)-N-methylthiophen-3-amine
SMILESC/C=c1/c(NC)cs/c1=C/C
InChIInChI=1S/C9H13NS/c1-4-7-8(10-3)6-11-9(7)5-2/h4-6,10H,1-3H3/b7-4-,9-5+
InChIKeyXCJNDHJTEJZHRO-ICDOWURLSA-N
XLogP1.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-[(2E,4Z)-4-methylhexa-2,4-dien-3-yl]sulfanylbuta-1,3-dien-2-amine
CID 88578797
(2E,4Z)-N-methyl-6-(methylsulfanylmethyl)hepta-2,4,6-trien-3-amine
CID 134516437
2-methyl-4-[(E)-2-methylbut-1-enyl]-2,3-dihydro-1,3-thiazole
CID 143124042
(5E)-4-methylidene-5-(2-methylprop-2-enylidene)-1,3-thiazolidine
CID 143383131
(1E)-1-[(3Z)-3-(1-aminoethylidene)thiophen-2-ylidene]-N-methylpropan-1-amine;ethane
CID 143719097
N-methyl-5,6-dihydro-1-benzothiophen-3-amine
CID 144698981
(4Z)-N-(2,3-dihydrothiophen-4-ylmethyl)-6,7-dimethyl-3-methylideneocta-1,4,6-trien-2-amine
CID 155001808
2-[(3Z,5Z)-octa-1,3,5-trien-2-yl]-2,3-dihydro-1,3-thiazole
CID 167071691
N-methyl-2-thiabicyclo[5.1.0]octa-1(7),3,5-trien-6-amine
CID 170407358
(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-thiazolidine
CID 143256494
(1E)-1-[(3Z)-3-(1-aminoethylidene)thiophen-2-ylidene]-N-methylpropan-1-amine
CID 143719098
(3E,5Z)-2-methyl-N-(2-methylsulfanylethyl)hepta-1,3,5-trien-3-amine
CID 168964962

Frequently Asked Questions

What is the IUPAC name of (4Z,5E)-4,5-di(ethylidene)-N-methylthiophen-3-amine?
The IUPAC name of (4Z,5E)-4,5-di(ethylidene)-N-methylthiophen-3-amine (CID 144626603) is (4Z,5E)-4,5-di(ethylidene)-N-methylthiophen-3-amine.
What is the SMILES notation for (4Z,5E)-4,5-di(ethylidene)-N-methylthiophen-3-amine?
The canonical SMILES for (4Z,5E)-4,5-di(ethylidene)-N-methylthiophen-3-amine is C/C=c1/c(NC)cs/c1=C/C.
What is the InChIKey of (4Z,5E)-4,5-di(ethylidene)-N-methylthiophen-3-amine?
The InChIKey is XCJNDHJTEJZHRO-ICDOWURLSA-N. The full InChI is InChI=1S/C9H13NS/c1-4-7-8(10-3)6-11-9(7)5-2/h4-6,10H,1-3H3/b7-4-,9-5+.
What are the key properties of (4Z,5E)-4,5-di(ethylidene)-N-methylthiophen-3-amine?
(4Z,5E)-4,5-di(ethylidene)-N-methylthiophen-3-amine has a molecular weight of 167.28 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5E)-4,5-di(ethylidene)-N-methylthiophen-3-amine is sourced from PubChem (CID 144626603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).