2,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)aniline

C12H14N2S — CID 60683495

IUPAC2,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESCc1ccc(NCc2cscn2)c(C)c1
InChIInChI=1S/C12H14N2S/c1-9-3-4-12(10(2)5-9)13-6-11-7-15-8-14-11/h3-5,7-8,13H,6H2,1-2H3
InChIKeyLUTWZUBWITYQJD-UHFFFAOYSA-N
MW218.32 g/mol
LogP3.37
Rot. Bonds3

About 2,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)aniline

2,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)aniline (PubChem CID 60683495) has the molecular formula C12H14N2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 2,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)aniline.

Molecular Properties

Compound Name2,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)aniline
PubChem CID60683495
Molecular FormulaC12H14N2S
Molecular Weight218.32 g/mol
Exact Mass218.09
IUPAC Name2,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESCc1ccc(NCc2cscn2)c(C)c1
InChIInChI=1S/C12H14N2S/c1-9-3-4-12(10(2)5-9)13-6-11-7-15-8-14-11/h3-5,7-8,13H,6H2,1-2H3
InChIKeyLUTWZUBWITYQJD-UHFFFAOYSA-N
XLogP3.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-5-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60688792
2-methyl-4-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60696611
2,5-dichloro-4-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 104726418
2-(ethylamino)-5-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 63824195
N-[4-methyl-3-(1,3-thiazol-4-ylmethylamino)phenyl]acetamide
CID 61171799
2-bromo-4-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 115877205
2,4-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 79267404
2-chloro-4-iodo-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61169264
2-fluoro-1-N-(1,3-thiazol-4-ylmethyl)benzene-1,4-diamine
CID 63830940
2-bromo-1-N-(1,3-thiazol-4-ylmethyl)benzene-1,4-diamine
CID 63830938
5-chloro-2-methyl-4-nitro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 113334569
5-chloro-2-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60696679

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)aniline?
The IUPAC name of 2,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)aniline (CID 60683495) is 2,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)aniline.
What is the SMILES notation for 2,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)aniline?
The canonical SMILES for 2,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)aniline is Cc1ccc(NCc2cscn2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)aniline?
The InChIKey is LUTWZUBWITYQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-9-3-4-12(10(2)5-9)13-6-11-7-15-8-14-11/h3-5,7-8,13H,6H2,1-2H3.
What are the key properties of 2,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)aniline?
2,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)aniline has a molecular weight of 218.32 g/mol, XLogP of 3.37, 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-(1,3-thiazol-4-ylmethyl)aniline is sourced from PubChem (CID 60683495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).