N,4-dimethyl-5-(methylaminomethyl)-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine

C13H18N4S — CID 62766787

IUPACN,4-dimethyl-5-(methylaminomethyl)-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine
SMILESCNCc1sc(N(C)Cc2ccncc2)nc1C
InChIInChI=1S/C13H18N4S/c1-10-12(8-14-2)18-13(16-10)17(3)9-11-4-6-15-7-5-11/h4-7,14H,8-9H2,1-3H3
InChIKeyAMUOLIQXWPPJPK-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.20
Rot. Bonds5

About N,4-dimethyl-5-(methylaminomethyl)-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine

N,4-dimethyl-5-(methylaminomethyl)-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 62766787) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is N,4-dimethyl-5-(methylaminomethyl)-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-5-(methylaminomethyl)-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine
PubChem CID62766787
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC NameN,4-dimethyl-5-(methylaminomethyl)-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine
SMILESCNCc1sc(N(C)Cc2ccncc2)nc1C
InChIInChI=1S/C13H18N4S/c1-10-12(8-14-2)18-13(16-10)17(3)9-11-4-6-15-7-5-11/h4-7,14H,8-9H2,1-3H3
InChIKeyAMUOLIQXWPPJPK-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-5-(methylaminomethyl)-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of N,4-dimethyl-5-(methylaminomethyl)-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine (CID 62766787) is N,4-dimethyl-5-(methylaminomethyl)-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N,4-dimethyl-5-(methylaminomethyl)-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N,4-dimethyl-5-(methylaminomethyl)-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine is CNCc1sc(N(C)Cc2ccncc2)nc1C.
What is the InChIKey of N,4-dimethyl-5-(methylaminomethyl)-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is AMUOLIQXWPPJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-10-12(8-14-2)18-13(16-10)17(3)9-11-4-6-15-7-5-11/h4-7,14H,8-9H2,1-3H3.
What are the key properties of N,4-dimethyl-5-(methylaminomethyl)-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine?
N,4-dimethyl-5-(methylaminomethyl)-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 262.38 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-5-(methylaminomethyl)-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62766787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).