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

C13H18N4S — CID 105073172

IUPAC4-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine
SMILESCCNCc1ccncc1N(C)Cc1cscn1
InChIInChI=1S/C13H18N4S/c1-3-14-6-11-4-5-15-7-13(11)17(2)8-12-9-18-10-16-12/h4-5,7,9-10,14H,3,6,8H2,1-2H3
InChIKeyRPPQQHQSZKKTBD-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.28
Rot. Bonds6

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

4-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine (PubChem CID 105073172) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine
PubChem CID105073172
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name4-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine
SMILESCCNCc1ccncc1N(C)Cc1cscn1
InChIInChI=1S/C13H18N4S/c1-3-14-6-11-4-5-15-7-13(11)17(2)8-12-9-18-10-16-12/h4-5,7,9-10,14H,3,6,8H2,1-2H3
InChIKeyRPPQQHQSZKKTBD-UHFFFAOYSA-N
XLogP2.28
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-(propylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-4-amine
CID 81246655
5-chloro-4-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
CID 114925750
N-[(2-chlorophenyl)methyl]-4-(ethylaminomethyl)-N-methylpyridin-3-amine
CID 105073707
5-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine
CID 62754240
N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride
CID 75485215
N-(3,5-dimethylphenyl)-4-(ethylaminomethyl)-N-methylpyridin-3-amine
CID 105073467
N-cyclobutyl-4-(ethylaminomethyl)-N-methylpyridin-3-amine
CID 105074525
3-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-4-amine
CID 81246615
N-[[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]ethanamine
CID 62426653
N-[[5-methyl-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]ethanamine
CID 55074253
N,2-dimethyl-4-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)aniline
CID 55040318
N,2-dimethyl-4-[(2-methylpropylamino)methyl]-N-(1,3-thiazol-4-ylmethyl)aniline
CID 63069776

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine?
The IUPAC name of 4-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine (CID 105073172) is 4-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine.
What is the SMILES notation for 4-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine?
The canonical SMILES for 4-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine is CCNCc1ccncc1N(C)Cc1cscn1.
What is the InChIKey of 4-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine?
The InChIKey is RPPQQHQSZKKTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-3-14-6-11-4-5-15-7-13(11)17(2)8-12-9-18-10-16-12/h4-5,7,9-10,14H,3,6,8H2,1-2H3.
What are the key properties of 4-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine?
4-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine has a molecular weight of 262.38 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 105073172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).