(1E,3Z)-3-(1-aminoethenyl)-2-(prop-1-en-2-ylamino)penta-1,3-diene-1-thiol

C10H16N2S — CID 89134882

IUPAC(1E,3Z)-3-(1-aminoethenyl)-2-(prop-1-en-2-ylamino)penta-1,3-diene-1-thiol
SMILESC=C(C)NC(=C/S)/C(=C\C)C(=C)N
InChIInChI=1S/C10H16N2S/c1-5-9(8(4)11)10(6-13)12-7(2)3/h5-6,12-13H,2,4,11H2,1,3H3/b9-5-,10-6+
InChIKeyQNSCDLNUOHLMEW-VTBWALSUSA-N
MW196.32 g/mol
LogP2.30
Rot. Bonds4

About (1E,3Z)-3-(1-aminoethenyl)-2-(prop-1-en-2-ylamino)penta-1,3-diene-1-thiol

(1E,3Z)-3-(1-aminoethenyl)-2-(prop-1-en-2-ylamino)penta-1,3-diene-1-thiol (PubChem CID 89134882) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is (1E,3Z)-3-(1-aminoethenyl)-2-(prop-1-en-2-ylamino)penta-1,3-diene-1-thiol.

Molecular Properties

Compound Name(1E,3Z)-3-(1-aminoethenyl)-2-(prop-1-en-2-ylamino)penta-1,3-diene-1-thiol
PubChem CID89134882
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name(1E,3Z)-3-(1-aminoethenyl)-2-(prop-1-en-2-ylamino)penta-1,3-diene-1-thiol
SMILESC=C(C)NC(=C/S)/C(=C\C)C(=C)N
InChIInChI=1S/C10H16N2S/c1-5-9(8(4)11)10(6-13)12-7(2)3/h5-6,12-13H,2,4,11H2,1,3H3/b9-5-,10-6+
InChIKeyQNSCDLNUOHLMEW-VTBWALSUSA-N
XLogP2.30
TPSA38.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (1E,3Z)-3-(1-aminoethenyl)-2-(prop-1-en-2-ylamino)penta-1,3-diene-1-thiol with MolForge

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Related Compounds

(Z)-N-prop-1-en-2-ylbut-2-en-2-amine
CID 142199904
(1E)-2-N-methylbuta-1,3-diene-1,2,3-triamine
CID 166763683
2-amino-N'-tert-butyl-3-methyl-N-prop-1-en-2-ylbut-2-enimidamide;ethane
CID 162681954
1-N'-[(2E,6Z)-3-methyl-4-methyliminoocta-2,6-dien-2-yl]ethene-1,1-diamine
CID 167207239
(1E,4Z,6Z)-4,6-di(ethylidene)-2,11-dimethyl-3,5,7,8,9,10-hexamethylidenedodeca-1,11-diene-1-thiol
CID 166778220
2-(prop-1-en-2-ylamino)prop-2-enal
CID 89343212
N-(1-fluoroethenyl)prop-1-en-2-amine
CID 145377112
(3Z,5Z)-N-prop-1-en-2-ylhepta-1,3,5-trien-2-amine
CID 137427597
2-butan-2-yl-1-prop-1-en-2-ylguanidine
CID 145461023
N-[(3E)-2-aminohexa-1,3,5-trien-3-yl]acetamide;ethane
CID 143930163
(2Z,3E)-1-N-ethenyl-2,3-di(ethylidene)-1-N-methylpent-4-ene-1,4-diamine
CID 174245993
(Z)-2-N-(1-aminoethenyl)prop-1-ene-1,2-diamine
CID 146561035

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-3-(1-aminoethenyl)-2-(prop-1-en-2-ylamino)penta-1,3-diene-1-thiol?
The IUPAC name of (1E,3Z)-3-(1-aminoethenyl)-2-(prop-1-en-2-ylamino)penta-1,3-diene-1-thiol (CID 89134882) is (1E,3Z)-3-(1-aminoethenyl)-2-(prop-1-en-2-ylamino)penta-1,3-diene-1-thiol.
What is the SMILES notation for (1E,3Z)-3-(1-aminoethenyl)-2-(prop-1-en-2-ylamino)penta-1,3-diene-1-thiol?
The canonical SMILES for (1E,3Z)-3-(1-aminoethenyl)-2-(prop-1-en-2-ylamino)penta-1,3-diene-1-thiol is C=C(C)NC(=C/S)/C(=C\C)C(=C)N.
What is the InChIKey of (1E,3Z)-3-(1-aminoethenyl)-2-(prop-1-en-2-ylamino)penta-1,3-diene-1-thiol?
The InChIKey is QNSCDLNUOHLMEW-VTBWALSUSA-N. The full InChI is InChI=1S/C10H16N2S/c1-5-9(8(4)11)10(6-13)12-7(2)3/h5-6,12-13H,2,4,11H2,1,3H3/b9-5-,10-6+.
What are the key properties of (1E,3Z)-3-(1-aminoethenyl)-2-(prop-1-en-2-ylamino)penta-1,3-diene-1-thiol?
(1E,3Z)-3-(1-aminoethenyl)-2-(prop-1-en-2-ylamino)penta-1,3-diene-1-thiol has a molecular weight of 196.32 g/mol, XLogP of 2.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-3-(1-aminoethenyl)-2-(prop-1-en-2-ylamino)penta-1,3-diene-1-thiol is sourced from PubChem (CID 89134882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).