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

C19H26N4S — CID 89085356

IUPACN-[(5Z,6E)-6-(aminomethylidene)-3-(4-methyl-2,3-dihydro-1,3-thiazol-2-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
SMILESC=C/C=c1/cc(C2NC(C)=CS2)cc(NC2CCNCC2)/c1=C/N
InChIInChI=1S/C19H26N4S/c1-3-4-14-9-15(19-22-13(2)12-24-19)10-18(17(14)11-20)23-16-5-7-21-8-6-16/h3-4,9-12,16,19,21-23H,1,5-8,20H2,2H3/b14-4-,17-11+
InChIKeyZWVCZPOQHQELRQ-OIYRNFIISA-N
MW342.51 g/mol
LogP1.71
Rot. Bonds4

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

N-[(5Z,6E)-6-(aminomethylidene)-3-(4-methyl-2,3-dihydro-1,3-thiazol-2-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine (PubChem CID 89085356) has the molecular formula C19H26N4S and a molecular weight of 342.51 g/mol. Its IUPAC name is N-[(5Z,6E)-6-(aminomethylidene)-3-(4-methyl-2,3-dihydro-1,3-thiazol-2-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(5Z,6E)-6-(aminomethylidene)-3-(4-methyl-2,3-dihydro-1,3-thiazol-2-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
PubChem CID89085356
Molecular FormulaC19H26N4S
Molecular Weight342.51 g/mol
Exact Mass342.19
IUPAC NameN-[(5Z,6E)-6-(aminomethylidene)-3-(4-methyl-2,3-dihydro-1,3-thiazol-2-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
SMILESC=C/C=c1/cc(C2NC(C)=CS2)cc(NC2CCNCC2)/c1=C/N
InChIInChI=1S/C19H26N4S/c1-3-4-14-9-15(19-22-13(2)12-24-19)10-18(17(14)11-20)23-16-5-7-21-8-6-16/h3-4,9-12,16,19,21-23H,1,5-8,20H2,2H3/b14-4-,17-11+
InChIKeyZWVCZPOQHQELRQ-OIYRNFIISA-N
XLogP1.71
TPSA62.11 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 51.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[(5Z,6E)-6-(aminomethylidene)-3-(4-methyl-2,3-dihydro-1,3-thiazol-2-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine with MolForge

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Related Compounds

N-[(5Z,6E)-6-(aminomethylidene)-3-(6-methyl-2,3-dihydropyridin-2-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085531
N-[(5Z,6E)-6-(aminomethylidene)-3-[5-(fluoromethyl)-1,2,3,4-tetrahydropyridin-3-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085543
N-[(5Z,6E)-6-(aminomethylidene)-3-[3-(piperazin-1-ylmethyl)cyclohexa-2,4-dien-1-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085391
N-[(5Z,6E)-3-[(1E,3Z)-1-amino-5-chlorohexa-1,3,5-trien-2-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085396
N-[(5Z,6E)-6-(aminomethylidene)-3-(5-methyl-6-morpholin-4-yl-1,2-dihydropyridin-3-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085328
N-[3-[(3Z,4E)-4-(aminomethylidene)-5-(piperidin-4-ylamino)-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]phenyl]-2-hydroxyacetamide
CID 89085320
6-methyl-4-N-piperidin-4-ylpyridine-3,4-diamine
CID 145484790
2,3-dimethyl-N-piperidin-4-ylquinolin-5-amine;formamide;hydrochloride
CID 175301043
N-(5-chloro-2-methylphenyl)azepan-4-amine
CID 103980298
4-methyl-2-(piperidin-4-ylamino)benzamide
CID 62308857
N-(2-propan-2-ylphenyl)piperidin-4-amine
CID 61016047
N-(3-methoxy-2,4-dimethylphenyl)azepan-4-amine
CID 103981427

Frequently Asked Questions

What is the IUPAC name of N-[(5Z,6E)-6-(aminomethylidene)-3-(4-methyl-2,3-dihydro-1,3-thiazol-2-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine?
The IUPAC name of N-[(5Z,6E)-6-(aminomethylidene)-3-(4-methyl-2,3-dihydro-1,3-thiazol-2-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine (CID 89085356) is N-[(5Z,6E)-6-(aminomethylidene)-3-(4-methyl-2,3-dihydro-1,3-thiazol-2-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-(4-methyl-2,3-dihydro-1,3-thiazol-2-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine?
The canonical SMILES for N-[(5Z,6E)-6-(aminomethylidene)-3-(4-methyl-2,3-dihydro-1,3-thiazol-2-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine is C=C/C=c1/cc(C2NC(C)=CS2)cc(NC2CCNCC2)/c1=C/N.
What is the InChIKey of N-[(5Z,6E)-6-(aminomethylidene)-3-(4-methyl-2,3-dihydro-1,3-thiazol-2-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine?
The InChIKey is ZWVCZPOQHQELRQ-OIYRNFIISA-N. The full InChI is InChI=1S/C19H26N4S/c1-3-4-14-9-15(19-22-13(2)12-24-19)10-18(17(14)11-20)23-16-5-7-21-8-6-16/h3-4,9-12,16,19,21-23H,1,5-8,20H2,2H3/b14-4-,17-11+.
What are the key properties of N-[(5Z,6E)-6-(aminomethylidene)-3-(4-methyl-2,3-dihydro-1,3-thiazol-2-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine?
N-[(5Z,6E)-6-(aminomethylidene)-3-(4-methyl-2,3-dihydro-1,3-thiazol-2-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine has a molecular weight of 342.51 g/mol, XLogP of 1.71, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5Z,6E)-6-(aminomethylidene)-3-(4-methyl-2,3-dihydro-1,3-thiazol-2-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine is sourced from PubChem (CID 89085356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).