N'-ethenyl-N-methyl-N'-(methylideneamino)-1-(1,3-thiazol-5-yl)propane-1,3-diamine

C10H16N4S — CID 144878077

IUPACN'-ethenyl-N-methyl-N'-(methylideneamino)-1-(1,3-thiazol-5-yl)propane-1,3-diamine
SMILESC=CN(CCC(NC)c1cncs1)N=C
InChIInChI=1S/C10H16N4S/c1-4-14(12-3)6-5-9(11-2)10-7-13-8-15-10/h4,7-9,11H,1,3,5-6H2,2H3
InChIKeyZMQYWVCQRPTDAQ-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.85
Rot. Bonds7

About N'-ethenyl-N-methyl-N'-(methylideneamino)-1-(1,3-thiazol-5-yl)propane-1,3-diamine

N'-ethenyl-N-methyl-N'-(methylideneamino)-1-(1,3-thiazol-5-yl)propane-1,3-diamine (PubChem CID 144878077) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is N'-ethenyl-N-methyl-N'-(methylideneamino)-1-(1,3-thiazol-5-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethenyl-N-methyl-N'-(methylideneamino)-1-(1,3-thiazol-5-yl)propane-1,3-diamine
PubChem CID144878077
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC NameN'-ethenyl-N-methyl-N'-(methylideneamino)-1-(1,3-thiazol-5-yl)propane-1,3-diamine
SMILESC=CN(CCC(NC)c1cncs1)N=C
InChIInChI=1S/C10H16N4S/c1-4-14(12-3)6-5-9(11-2)10-7-13-8-15-10/h4,7-9,11H,1,3,5-6H2,2H3
InChIKeyZMQYWVCQRPTDAQ-UHFFFAOYSA-N
XLogP1.85
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-ethenyl-N-methyl-N'-(methylideneamino)-1-(1,3-thiazol-5-yl)propane-1,3-diamine?
The IUPAC name of N'-ethenyl-N-methyl-N'-(methylideneamino)-1-(1,3-thiazol-5-yl)propane-1,3-diamine (CID 144878077) is N'-ethenyl-N-methyl-N'-(methylideneamino)-1-(1,3-thiazol-5-yl)propane-1,3-diamine.
What is the SMILES notation for N'-ethenyl-N-methyl-N'-(methylideneamino)-1-(1,3-thiazol-5-yl)propane-1,3-diamine?
The canonical SMILES for N'-ethenyl-N-methyl-N'-(methylideneamino)-1-(1,3-thiazol-5-yl)propane-1,3-diamine is C=CN(CCC(NC)c1cncs1)N=C.
What is the InChIKey of N'-ethenyl-N-methyl-N'-(methylideneamino)-1-(1,3-thiazol-5-yl)propane-1,3-diamine?
The InChIKey is ZMQYWVCQRPTDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S/c1-4-14(12-3)6-5-9(11-2)10-7-13-8-15-10/h4,7-9,11H,1,3,5-6H2,2H3.
What are the key properties of N'-ethenyl-N-methyl-N'-(methylideneamino)-1-(1,3-thiazol-5-yl)propane-1,3-diamine?
N'-ethenyl-N-methyl-N'-(methylideneamino)-1-(1,3-thiazol-5-yl)propane-1,3-diamine has a molecular weight of 224.33 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-N-methyl-N'-(methylideneamino)-1-(1,3-thiazol-5-yl)propane-1,3-diamine is sourced from PubChem (CID 144878077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).