N-methyl-6-[1-(methylamino)ethyl]-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine

C13H18N4S — CID 83122521

IUPACN-methyl-6-[1-(methylamino)ethyl]-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine
SMILESCNC(C)c1ccc(N(C)Cc2cscn2)cn1
InChIInChI=1S/C13H18N4S/c1-10(14-2)13-5-4-12(6-15-13)17(3)7-11-8-18-9-16-11/h4-6,8-10,14H,7H2,1-3H3
InChIKeyXNWQMEZKXACPIW-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.45
Rot. Bonds5

About N-methyl-6-[1-(methylamino)ethyl]-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine

N-methyl-6-[1-(methylamino)ethyl]-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine (PubChem CID 83122521) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is N-methyl-6-[1-(methylamino)ethyl]-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound NameN-methyl-6-[1-(methylamino)ethyl]-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine
PubChem CID83122521
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC NameN-methyl-6-[1-(methylamino)ethyl]-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine
SMILESCNC(C)c1ccc(N(C)Cc2cscn2)cn1
InChIInChI=1S/C13H18N4S/c1-10(14-2)13-5-4-12(6-15-13)17(3)7-11-8-18-9-16-11/h4-6,8-10,14H,7H2,1-3H3
InChIKeyXNWQMEZKXACPIW-UHFFFAOYSA-N
XLogP2.45
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[1-(methylamino)ethyl]-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine?
The IUPAC name of N-methyl-6-[1-(methylamino)ethyl]-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine (CID 83122521) is N-methyl-6-[1-(methylamino)ethyl]-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine.
What is the SMILES notation for N-methyl-6-[1-(methylamino)ethyl]-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine?
The canonical SMILES for N-methyl-6-[1-(methylamino)ethyl]-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine is CNC(C)c1ccc(N(C)Cc2cscn2)cn1.
What is the InChIKey of N-methyl-6-[1-(methylamino)ethyl]-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine?
The InChIKey is XNWQMEZKXACPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-10(14-2)13-5-4-12(6-15-13)17(3)7-11-8-18-9-16-11/h4-6,8-10,14H,7H2,1-3H3.
What are the key properties of N-methyl-6-[1-(methylamino)ethyl]-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine?
N-methyl-6-[1-(methylamino)ethyl]-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine has a molecular weight of 262.38 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[1-(methylamino)ethyl]-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 83122521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).