2-methyl-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine

C18H19N3S — CID 133490478

IUPAC2-methyl-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine
SMILESCc1cc(NCCc2nc(-c3ccccc3)c(C)s2)ccn1
InChIInChI=1S/C18H19N3S/c1-13-12-16(8-10-19-13)20-11-9-17-21-18(14(2)22-17)15-6-4-3-5-7-15/h3-8,10,12H,9,11H2,1-2H3,(H,19,20)
InChIKeyBQURDPDMCWYBMF-UHFFFAOYSA-N
MW309.44 g/mol
LogP4.48
Rot. Bonds5

About 2-methyl-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine

2-methyl-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine (PubChem CID 133490478) has the molecular formula C18H19N3S and a molecular weight of 309.44 g/mol. Its IUPAC name is 2-methyl-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine
PubChem CID133490478
Molecular FormulaC18H19N3S
Molecular Weight309.44 g/mol
Exact Mass309.13
IUPAC Name2-methyl-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine
SMILESCc1cc(NCCc2nc(-c3ccccc3)c(C)s2)ccn1
InChIInChI=1S/C18H19N3S/c1-13-12-16(8-10-19-13)20-11-9-17-21-18(14(2)22-17)15-6-4-3-5-7-15/h3-8,10,12H,9,11H2,1-2H3,(H,19,20)
InChIKeyBQURDPDMCWYBMF-UHFFFAOYSA-N
XLogP4.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]-4-phenyl-1,3-thiazole
CID 2129747
N-(furan-2-ylmethyl)-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 82102767
3-methoxy-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 82102677
5-methyl-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]pyrazine-2-carboxamide
CID 44774897
N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine
CID 166275175
2-methyl-N-propylpyridin-4-amine
CID 79240818
2-methyl-3-(methylamino)-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119893382
N-[2-(3,5-difluorophenyl)ethyl]-2-methylpyridin-4-amine
CID 113482614
5-methyl-4-phenyl-N-(2-phenylethyl)-1,3-thiazol-2-amine;hydrobromide
CID 20558014
2-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine
CID 103756472
2-hydroxy-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide
CID 110014751
N-[2-[5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine
CID 82102760

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine?
The IUPAC name of 2-methyl-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine (CID 133490478) is 2-methyl-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine.
What is the SMILES notation for 2-methyl-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine?
The canonical SMILES for 2-methyl-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine is Cc1cc(NCCc2nc(-c3ccccc3)c(C)s2)ccn1.
What is the InChIKey of 2-methyl-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine?
The InChIKey is BQURDPDMCWYBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3S/c1-13-12-16(8-10-19-13)20-11-9-17-21-18(14(2)22-17)15-6-4-3-5-7-15/h3-8,10,12H,9,11H2,1-2H3,(H,19,20).
What are the key properties of 2-methyl-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine?
2-methyl-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine has a molecular weight of 309.44 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine is sourced from PubChem (CID 133490478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).