N-methyl-3-(propylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-4-amine

C14H20N4S — CID 81246655

IUPACN-methyl-3-(propylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-4-amine
SMILESCCCNCc1cnccc1N(C)Cc1cscn1
InChIInChI=1S/C14H20N4S/c1-3-5-15-7-12-8-16-6-4-14(12)18(2)9-13-10-19-11-17-13/h4,6,8,10-11,15H,3,5,7,9H2,1-2H3
InChIKeySORSYKAJEYBABY-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.67
Rot. Bonds7

About N-methyl-3-(propylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-4-amine

N-methyl-3-(propylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-4-amine (PubChem CID 81246655) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is N-methyl-3-(propylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-4-amine.

Molecular Properties

Compound NameN-methyl-3-(propylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-4-amine
PubChem CID81246655
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC NameN-methyl-3-(propylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-4-amine
SMILESCCCNCc1cnccc1N(C)Cc1cscn1
InChIInChI=1S/C14H20N4S/c1-3-5-15-7-12-8-16-6-4-14(12)18(2)9-13-10-19-11-17-13/h4,6,8,10-11,15H,3,5,7,9H2,1-2H3
InChIKeySORSYKAJEYBABY-UHFFFAOYSA-N
XLogP2.67
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.67
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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Related Compounds

4-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine
CID 105073172
N-methyl-3-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-4-amine
CID 81249546
N-methyl-N-[(3-methylphenyl)methyl]-3-(propylaminomethyl)pyridin-4-amine
CID 81253106
N-(2-ethoxyethyl)-N-methyl-3-(propylaminomethyl)pyridin-4-amine
CID 81247682
N-methyl-N-(2-propan-2-yloxyethyl)-3-(propylaminomethyl)pyridin-4-amine
CID 81247408
N,N-dibutyl-3-(propylaminomethyl)pyridin-4-amine
CID 81249392
N-methyl-N-(4-methylpentan-2-yl)-3-(propylaminomethyl)pyridin-4-amine
CID 81246240
N-cycloheptyl-N-methyl-3-(propylaminomethyl)pyridin-4-amine
CID 81247077
N-cyclohexyl-N-methyl-3-(propylaminomethyl)pyridin-4-amine
CID 81249376
N-methyl-3-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)pyridin-4-amine
CID 81247060
N-[(4-chlorophenyl)methyl]-N-methyl-4-(propylaminomethyl)pyridin-3-amine
CID 105073646
4-fluoro-N-methyl-2-(propylaminomethyl)-N-(pyridin-2-ylmethyl)aniline
CID 43565214

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(propylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-4-amine?
The IUPAC name of N-methyl-3-(propylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-4-amine (CID 81246655) is N-methyl-3-(propylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-4-amine.
What is the SMILES notation for N-methyl-3-(propylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-4-amine?
The canonical SMILES for N-methyl-3-(propylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-4-amine is CCCNCc1cnccc1N(C)Cc1cscn1.
What is the InChIKey of N-methyl-3-(propylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-4-amine?
The InChIKey is SORSYKAJEYBABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-3-5-15-7-12-8-16-6-4-14(12)18(2)9-13-10-19-11-17-13/h4,6,8,10-11,15H,3,5,7,9H2,1-2H3.
What are the key properties of N-methyl-3-(propylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-4-amine?
N-methyl-3-(propylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-4-amine has a molecular weight of 276.41 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(propylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-4-amine is sourced from PubChem (CID 81246655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).