2,4-dimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline

C14H18N2S — CID 43755779

IUPAC2,4-dimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
SMILESCc1ccc(NC(C)c2scnc2C)c(C)c1
InChIInChI=1S/C14H18N2S/c1-9-5-6-13(10(2)7-9)16-12(4)14-11(3)15-8-17-14/h5-8,12,16H,1-4H3
InChIKeyAJVNWFVQKAPORR-UHFFFAOYSA-N
MW246.38 g/mol
LogP4.24
Rot. Bonds3

About 2,4-dimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline

2,4-dimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline (PubChem CID 43755779) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 2,4-dimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline.

Molecular Properties

Compound Name2,4-dimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
PubChem CID43755779
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name2,4-dimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
SMILESCc1ccc(NC(C)c2scnc2C)c(C)c1
InChIInChI=1S/C14H18N2S/c1-9-5-6-13(10(2)7-9)16-12(4)14-11(3)15-8-17-14/h5-8,12,16H,1-4H3
InChIKeyAJVNWFVQKAPORR-UHFFFAOYSA-N
XLogP4.24
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 103936659
2,4-difluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43763933
2,4,5-trichloro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43759104
5-bromo-2-iodo-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 114259232
2-chloro-5-fluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 107527119
N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43756143
N,4-dimethyl-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzamide
CID 43787391
4-methoxy-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(trifluoromethyl)aniline
CID 43779859
1-(4-methylphenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 54863036
4-bromo-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-nitroaniline
CID 43791229
2,6-dibromo-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 107597040
4-chloro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43762336

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
The IUPAC name of 2,4-dimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline (CID 43755779) is 2,4-dimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline.
What is the SMILES notation for 2,4-dimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
The canonical SMILES for 2,4-dimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline is Cc1ccc(NC(C)c2scnc2C)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
The InChIKey is AJVNWFVQKAPORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-9-5-6-13(10(2)7-9)16-12(4)14-11(3)15-8-17-14/h5-8,12,16H,1-4H3.
What are the key properties of 2,4-dimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
2,4-dimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline has a molecular weight of 246.38 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline is sourced from PubChem (CID 43755779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).