N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylpyridin-3-amine

C16H23N3S — CID 79041724

IUPACN-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylpyridin-3-amine
SMILESCc1ncccc1NC(C)c1sc(C(C)(C)C)nc1C
InChIInChI=1S/C16H23N3S/c1-10-13(8-7-9-17-10)18-11(2)14-12(3)19-15(20-14)16(4,5)6/h7-9,11,18H,1-6H3
InChIKeyANTWEIFXFRIAQK-UHFFFAOYSA-N
MW289.45 g/mol
LogP4.63
Rot. Bonds3

About N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylpyridin-3-amine

N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylpyridin-3-amine (PubChem CID 79041724) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylpyridin-3-amine.

Molecular Properties

Compound NameN-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylpyridin-3-amine
PubChem CID79041724
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC NameN-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylpyridin-3-amine
SMILESCc1ncccc1NC(C)c1sc(C(C)(C)C)nc1C
InChIInChI=1S/C16H23N3S/c1-10-13(8-7-9-17-10)18-11(2)14-12(3)19-15(20-14)16(4,5)6/h7-9,11,18H,1-6H3
InChIKeyANTWEIFXFRIAQK-UHFFFAOYSA-N
XLogP4.63
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylsulfanylaniline
CID 43781038
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43756145
2-bromo-N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-3-chloroaniline
CID 103478020
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-2-ylethanamine
CID 43767328
4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]phenol
CID 43790441
2-bromo-N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-4-fluoroaniline
CID 43772577
2-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridin-3-amine
CID 63752258
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-3-chloroaniline
CID 43762120
2-tert-butyl-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline
CID 63751782
1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895435
N-[1-(5-bromothiophen-2-yl)ethyl]-2-methylpyridin-3-amine
CID 79042136
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1,3,5-trimethylpyrazol-4-amine
CID 43768916

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylpyridin-3-amine?
The IUPAC name of N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylpyridin-3-amine (CID 79041724) is N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylpyridin-3-amine.
What is the SMILES notation for N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylpyridin-3-amine?
The canonical SMILES for N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylpyridin-3-amine is Cc1ncccc1NC(C)c1sc(C(C)(C)C)nc1C.
What is the InChIKey of N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylpyridin-3-amine?
The InChIKey is ANTWEIFXFRIAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-10-13(8-7-9-17-10)18-11(2)14-12(3)19-15(20-14)16(4,5)6/h7-9,11,18H,1-6H3.
What are the key properties of N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylpyridin-3-amine?
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylpyridin-3-amine has a molecular weight of 289.45 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylpyridin-3-amine is sourced from PubChem (CID 79041724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).