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

C17H24N2S2 — CID 43781038

IUPACN-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylsulfanylaniline
SMILESCSc1ccccc1NC(C)c1sc(C(C)(C)C)nc1C
InChIInChI=1S/C17H24N2S2/c1-11(18-13-9-7-8-10-14(13)20-6)15-12(2)19-16(21-15)17(3,4)5/h7-11,18H,1-6H3
InChIKeyJQCNJMBXRNGQLQ-UHFFFAOYSA-N
MW320.53 g/mol
LogP5.64
Rot. Bonds4

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

N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylsulfanylaniline (PubChem CID 43781038) has the molecular formula C17H24N2S2 and a molecular weight of 320.53 g/mol. Its IUPAC name is N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylsulfanylaniline.

Molecular Properties

Compound NameN-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylsulfanylaniline
PubChem CID43781038
Molecular FormulaC17H24N2S2
Molecular Weight320.53 g/mol
Exact Mass320.14
IUPAC NameN-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylsulfanylaniline
SMILESCSc1ccccc1NC(C)c1sc(C(C)(C)C)nc1C
InChIInChI=1S/C17H24N2S2/c1-11(18-13-9-7-8-10-14(13)20-6)15-12(2)19-16(21-15)17(3,4)5/h7-11,18H,1-6H3
InChIKeyJQCNJMBXRNGQLQ-UHFFFAOYSA-N
XLogP5.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.53
LogP ≤ 55.64
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]aniline
CID 43756145
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylpyridin-3-amine
CID 79041724
2-bromo-N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-3-chloroaniline
CID 103478020
2-bromo-N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-4-fluoroaniline
CID 43772577
2-tert-butyl-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline
CID 63751782
4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]phenol
CID 43790441
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-3-chloroaniline
CID 43762120
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-ethylsulfanylaniline
CID 63752779
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-2-ylethanamine
CID 43767328
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-methylpyrazol-4-amine
CID 43776724
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1,3,5-trimethylpyrazol-4-amine
CID 43768916
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-(5-chlorothiophen-2-yl)ethanamine
CID 43783015

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylsulfanylaniline?
The IUPAC name of N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylsulfanylaniline (CID 43781038) is N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylsulfanylaniline.
What is the SMILES notation for N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylsulfanylaniline?
The canonical SMILES for N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylsulfanylaniline is CSc1ccccc1NC(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-methylsulfanylaniline?
The InChIKey is JQCNJMBXRNGQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S2/c1-11(18-13-9-7-8-10-14(13)20-6)15-12(2)19-16(21-15)17(3,4)5/h7-11,18H,1-6H3.
What are the key properties of N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylsulfanylaniline?
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylsulfanylaniline has a molecular weight of 320.53 g/mol, XLogP of 5.64, 4 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-methylsulfanylaniline is sourced from PubChem (CID 43781038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).