2,6-dimethyl-N-(1,3-thiazol-2-ylmethyl)aniline

C12H14N2S — CID 79017119

IUPAC2,6-dimethyl-N-(1,3-thiazol-2-ylmethyl)aniline
SMILESCc1cccc(C)c1NCc1nccs1
InChIInChI=1S/C12H14N2S/c1-9-4-3-5-10(2)12(9)14-8-11-13-6-7-15-11/h3-7,14H,8H2,1-2H3
InChIKeyKLMNUJYYBDPNOQ-UHFFFAOYSA-N
MW218.32 g/mol
LogP3.37
Rot. Bonds3

About 2,6-dimethyl-N-(1,3-thiazol-2-ylmethyl)aniline

2,6-dimethyl-N-(1,3-thiazol-2-ylmethyl)aniline (PubChem CID 79017119) has the molecular formula C12H14N2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 2,6-dimethyl-N-(1,3-thiazol-2-ylmethyl)aniline.

Molecular Properties

Compound Name2,6-dimethyl-N-(1,3-thiazol-2-ylmethyl)aniline
PubChem CID79017119
Molecular FormulaC12H14N2S
Molecular Weight218.32 g/mol
Exact Mass218.09
IUPAC Name2,6-dimethyl-N-(1,3-thiazol-2-ylmethyl)aniline
SMILESCc1cccc(C)c1NCc1nccs1
InChIInChI=1S/C12H14N2S/c1-9-4-3-5-10(2)12(9)14-8-11-13-6-7-15-11/h3-7,14H,8H2,1-2H3
InChIKeyKLMNUJYYBDPNOQ-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

2,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]aniline
CID 115749452
2-methyl-3-N-(1,3-thiazol-2-ylmethyl)benzene-1,3-diamine
CID 63078164
5-bromo-2-methyl-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63657020
2-methyl-4-N-(1,3-thiazol-2-ylmethyl)benzene-1,4-diamine
CID 61283842
4,6-dimethyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-2-amine
CID 61283291
4-bromo-3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)aniline
CID 103579715
2,3-difluoro-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63657832
N-[[5-(chloromethyl)-1,3,4-thiadiazol-2-yl]methyl]-2,6-dimethylaniline
CID 23462298
2-N,3-N-bis(1,3-thiazol-2-ylmethyl)pyrazine-2,3-diamine
CID 86794222
2-methyl-3-(1,3-thiazol-2-ylmethylamino)benzamide
CID 63656612
2-methyl-N-(1,3-thiazol-2-ylmethyl)quinolin-4-amine
CID 61283485
N-(1,3-thiazol-2-ylmethyl)pyridin-4-amine
CID 61285050

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(1,3-thiazol-2-ylmethyl)aniline?
The IUPAC name of 2,6-dimethyl-N-(1,3-thiazol-2-ylmethyl)aniline (CID 79017119) is 2,6-dimethyl-N-(1,3-thiazol-2-ylmethyl)aniline.
What is the SMILES notation for 2,6-dimethyl-N-(1,3-thiazol-2-ylmethyl)aniline?
The canonical SMILES for 2,6-dimethyl-N-(1,3-thiazol-2-ylmethyl)aniline is Cc1cccc(C)c1NCc1nccs1.
What is the InChIKey of 2,6-dimethyl-N-(1,3-thiazol-2-ylmethyl)aniline?
The InChIKey is KLMNUJYYBDPNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-9-4-3-5-10(2)12(9)14-8-11-13-6-7-15-11/h3-7,14H,8H2,1-2H3.
What are the key properties of 2,6-dimethyl-N-(1,3-thiazol-2-ylmethyl)aniline?
2,6-dimethyl-N-(1,3-thiazol-2-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 2,6-dimethyl-N-(1,3-thiazol-2-ylmethyl)aniline is sourced from PubChem (CID 79017119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).