N'-methyl-N'-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine

C19H22N4S — CID 119126486

IUPACN'-methyl-N'-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine
SMILESCN(CCCNCc1csc(-c2ccccn2)n1)c1ccccc1
InChIInChI=1S/C19H22N4S/c1-23(17-8-3-2-4-9-17)13-7-11-20-14-16-15-24-19(22-16)18-10-5-6-12-21-18/h2-6,8-10,12,15,20H,7,11,13-14H2,1H3
InChIKeyQVAIMPFKYNMBOY-UHFFFAOYSA-N
MW338.48 g/mol
LogP3.82
Rot. Bonds8

About N'-methyl-N'-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine

N'-methyl-N'-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine (PubChem CID 119126486) has the molecular formula C19H22N4S and a molecular weight of 338.48 g/mol. Its IUPAC name is N'-methyl-N'-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine
PubChem CID119126486
Molecular FormulaC19H22N4S
Molecular Weight338.48 g/mol
Exact Mass338.16
IUPAC NameN'-methyl-N'-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine
SMILESCN(CCCNCc1csc(-c2ccccn2)n1)c1ccccc1
InChIInChI=1S/C19H22N4S/c1-23(17-8-3-2-4-9-17)13-7-11-20-14-16-15-24-19(22-16)18-10-5-6-12-21-18/h2-6,8-10,12,15,20H,7,11,13-14H2,1H3
InChIKeyQVAIMPFKYNMBOY-UHFFFAOYSA-N
XLogP3.82
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine?
The IUPAC name of N'-methyl-N'-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine (CID 119126486) is N'-methyl-N'-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine is CN(CCCNCc1csc(-c2ccccn2)n1)c1ccccc1.
What is the InChIKey of N'-methyl-N'-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine?
The InChIKey is QVAIMPFKYNMBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4S/c1-23(17-8-3-2-4-9-17)13-7-11-20-14-16-15-24-19(22-16)18-10-5-6-12-21-18/h2-6,8-10,12,15,20H,7,11,13-14H2,1H3.
What are the key properties of N'-methyl-N'-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine?
N'-methyl-N'-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine has a molecular weight of 338.48 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 119126486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).