N-[(5Z,6E)-6-(aminomethylidene)-3-(2-methoxy-1,3-thiazol-5-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine

C19H24N4OS — CID 89085441

IUPACN-[(5Z,6E)-6-(aminomethylidene)-3-(2-methoxy-1,3-thiazol-5-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
SMILESC=C/C=c1/cc(-c2cnc(OC)s2)cc(NC2CCNCC2)/c1=C/N
InChIInChI=1S/C19H24N4OS/c1-3-4-13-9-14(18-12-22-19(24-2)25-18)10-17(16(13)11-20)23-15-5-7-21-8-6-15/h3-4,9-12,15,21,23H,1,5-8,20H2,2H3/b13-4-,16-11+
InChIKeyXWFHUNAZYOQRRI-DBLMLPIGSA-N
MW356.50 g/mol
LogP1.65
Rot. Bonds5

About N-[(5Z,6E)-6-(aminomethylidene)-3-(2-methoxy-1,3-thiazol-5-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine

N-[(5Z,6E)-6-(aminomethylidene)-3-(2-methoxy-1,3-thiazol-5-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine (PubChem CID 89085441) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is N-[(5Z,6E)-6-(aminomethylidene)-3-(2-methoxy-1,3-thiazol-5-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(5Z,6E)-6-(aminomethylidene)-3-(2-methoxy-1,3-thiazol-5-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
PubChem CID89085441
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC NameN-[(5Z,6E)-6-(aminomethylidene)-3-(2-methoxy-1,3-thiazol-5-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
SMILESC=C/C=c1/cc(-c2cnc(OC)s2)cc(NC2CCNCC2)/c1=C/N
InChIInChI=1S/C19H24N4OS/c1-3-4-13-9-14(18-12-22-19(24-2)25-18)10-17(16(13)11-20)23-15-5-7-21-8-6-15/h3-4,9-12,15,21,23H,1,5-8,20H2,2H3/b13-4-,16-11+
InChIKeyXWFHUNAZYOQRRI-DBLMLPIGSA-N
XLogP1.65
TPSA72.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5Z,6E)-6-(aminomethylidene)-3-(2-methoxy-1,3-thiazol-5-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine?
The IUPAC name of N-[(5Z,6E)-6-(aminomethylidene)-3-(2-methoxy-1,3-thiazol-5-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine (CID 89085441) is N-[(5Z,6E)-6-(aminomethylidene)-3-(2-methoxy-1,3-thiazol-5-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine.
What is the SMILES notation for N-[(5Z,6E)-6-(aminomethylidene)-3-(2-methoxy-1,3-thiazol-5-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine?
The canonical SMILES for N-[(5Z,6E)-6-(aminomethylidene)-3-(2-methoxy-1,3-thiazol-5-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine is C=C/C=c1/cc(-c2cnc(OC)s2)cc(NC2CCNCC2)/c1=C/N.
What is the InChIKey of N-[(5Z,6E)-6-(aminomethylidene)-3-(2-methoxy-1,3-thiazol-5-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine?
The InChIKey is XWFHUNAZYOQRRI-DBLMLPIGSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-3-4-13-9-14(18-12-22-19(24-2)25-18)10-17(16(13)11-20)23-15-5-7-21-8-6-15/h3-4,9-12,15,21,23H,1,5-8,20H2,2H3/b13-4-,16-11+.
What are the key properties of N-[(5Z,6E)-6-(aminomethylidene)-3-(2-methoxy-1,3-thiazol-5-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine?
N-[(5Z,6E)-6-(aminomethylidene)-3-(2-methoxy-1,3-thiazol-5-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine has a molecular weight of 356.50 g/mol, XLogP of 1.65, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5Z,6E)-6-(aminomethylidene)-3-(2-methoxy-1,3-thiazol-5-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine is sourced from PubChem (CID 89085441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).