4-[(2,4,6-trimethylanilino)methyl]-1,3-thiazol-2-amine

C13H17N3S — CID 82480003

IUPAC4-[(2,4,6-trimethylanilino)methyl]-1,3-thiazol-2-amine
SMILESCc1cc(C)c(NCc2csc(N)n2)c(C)c1
InChIInChI=1S/C13H17N3S/c1-8-4-9(2)12(10(3)5-8)15-6-11-7-17-13(14)16-11/h4-5,7,15H,6H2,1-3H3,(H2,14,16)
InChIKeyCHYQKHRGRPUOJY-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.26
Rot. Bonds3

About 4-[(2,4,6-trimethylanilino)methyl]-1,3-thiazol-2-amine

4-[(2,4,6-trimethylanilino)methyl]-1,3-thiazol-2-amine (PubChem CID 82480003) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 4-[(2,4,6-trimethylanilino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(2,4,6-trimethylanilino)methyl]-1,3-thiazol-2-amine
PubChem CID82480003
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name4-[(2,4,6-trimethylanilino)methyl]-1,3-thiazol-2-amine
SMILESCc1cc(C)c(NCc2csc(N)n2)c(C)c1
InChIInChI=1S/C13H17N3S/c1-8-4-9(2)12(10(3)5-8)15-6-11-7-17-13(14)16-11/h4-5,7,15H,6H2,1-3H3,(H2,14,16)
InChIKeyCHYQKHRGRPUOJY-UHFFFAOYSA-N
XLogP3.26
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,3-dimethylanilino)methyl]-1,3-thiazol-2-amine
CID 82475642
N-[(2-amino-1,3-thiazol-4-yl)methyl]-2,5-dimethylbenzenesulfonamide
CID 110718074
4-(ethylaminomethyl)-1,3-thiazol-2-amine
CID 61325594
N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 110718090
4-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-2-amine
CID 43137911
N-[(2-amino-1,3-thiazol-4-yl)methyl]acetamide
CID 110717958
4-[(2-ethylanilino)methyl]-1,3-thiazol-2-amine
CID 82475643
4-[(2-methoxyanilino)methyl]-1,3-thiazol-2-amine
CID 82476196
4-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]-1,3-thiazol-2-amine
CID 65485633
4-[(2-fluoroanilino)methyl]-1,3-thiazol-2-amine
CID 82473163
N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2-methylphenyl)acetamide
CID 110718046
4-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
CID 96656461

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4,6-trimethylanilino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(2,4,6-trimethylanilino)methyl]-1,3-thiazol-2-amine (CID 82480003) is 4-[(2,4,6-trimethylanilino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(2,4,6-trimethylanilino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(2,4,6-trimethylanilino)methyl]-1,3-thiazol-2-amine is Cc1cc(C)c(NCc2csc(N)n2)c(C)c1.
What is the InChIKey of 4-[(2,4,6-trimethylanilino)methyl]-1,3-thiazol-2-amine?
The InChIKey is CHYQKHRGRPUOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-8-4-9(2)12(10(3)5-8)15-6-11-7-17-13(14)16-11/h4-5,7,15H,6H2,1-3H3,(H2,14,16).
What are the key properties of 4-[(2,4,6-trimethylanilino)methyl]-1,3-thiazol-2-amine?
4-[(2,4,6-trimethylanilino)methyl]-1,3-thiazol-2-amine has a molecular weight of 247.37 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4,6-trimethylanilino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 82480003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).