N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-methylpyridin-2-amine

C13H17N3S — CID 61193012

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-methylpyridin-2-amine
SMILESCc1cccc(NC(C)c2sc(C)nc2C)n1
InChIInChI=1S/C13H17N3S/c1-8-6-5-7-12(14-8)16-10(3)13-9(2)15-11(4)17-13/h5-7,10H,1-4H3,(H,14,16)
InChIKeyYETKSGNSNDZMLO-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.64
Rot. Bonds3

About N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-methylpyridin-2-amine

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-methylpyridin-2-amine (PubChem CID 61193012) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-methylpyridin-2-amine
PubChem CID61193012
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-methylpyridin-2-amine
SMILESCc1cccc(NC(C)c2sc(C)nc2C)n1
InChIInChI=1S/C13H17N3S/c1-8-6-5-7-12(14-8)16-10(3)13-9(2)15-11(4)17-13/h5-7,10H,1-4H3,(H,14,16)
InChIKeyYETKSGNSNDZMLO-UHFFFAOYSA-N
XLogP3.64
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-methylpyridin-2-amine?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-methylpyridin-2-amine (CID 61193012) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-methylpyridin-2-amine.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-methylpyridin-2-amine?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-methylpyridin-2-amine is Cc1cccc(NC(C)c2sc(C)nc2C)n1.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-methylpyridin-2-amine?
The InChIKey is YETKSGNSNDZMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-8-6-5-7-12(14-8)16-10(3)13-9(2)15-11(4)17-13/h5-7,10H,1-4H3,(H,14,16).
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-methylpyridin-2-amine?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-methylpyridin-2-amine has a molecular weight of 247.37 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-methylpyridin-2-amine is sourced from PubChem (CID 61193012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).