5-N-ethyl-4-methyl-5-N-(3-methylphenyl)-1,2-thiazole-3,5-diamine

C13H17N3S — CID 103360645

IUPAC5-N-ethyl-4-methyl-5-N-(3-methylphenyl)-1,2-thiazole-3,5-diamine
SMILESCCN(c1cccc(C)c1)c1snc(N)c1C
InChIInChI=1S/C13H17N3S/c1-4-16(11-7-5-6-9(2)8-11)13-10(3)12(14)15-17-13/h5-8H,4H2,1-3H3,(H2,14,15)
InChIKeyBSAHMUQHRQBWNJ-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.50
Rot. Bonds3

About 5-N-ethyl-4-methyl-5-N-(3-methylphenyl)-1,2-thiazole-3,5-diamine

5-N-ethyl-4-methyl-5-N-(3-methylphenyl)-1,2-thiazole-3,5-diamine (PubChem CID 103360645) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 5-N-ethyl-4-methyl-5-N-(3-methylphenyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-ethyl-4-methyl-5-N-(3-methylphenyl)-1,2-thiazole-3,5-diamine
PubChem CID103360645
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name5-N-ethyl-4-methyl-5-N-(3-methylphenyl)-1,2-thiazole-3,5-diamine
SMILESCCN(c1cccc(C)c1)c1snc(N)c1C
InChIInChI=1S/C13H17N3S/c1-4-16(11-7-5-6-9(2)8-11)13-10(3)12(14)15-17-13/h5-8H,4H2,1-3H3,(H2,14,15)
InChIKeyBSAHMUQHRQBWNJ-UHFFFAOYSA-N
XLogP3.50
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-ethyl-4-N-(3-methylphenyl)pyridine-2,4-diamine
CID 113367563
2-N-ethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 116796498
4-N,6-N,6-N-triethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539276
2-amino-3-(N-ethyl-3-methylanilino)benzonitrile
CID 104716397
5-amino-2-(N-ethyl-3-methylanilino)pyridine-3-carbonitrile
CID 61076219
3-N-ethyl-3-N-(3-methylphenyl)-5-(trifluoromethyl)pyridine-2,3-diamine
CID 28818283
2-tert-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 80961089
1-N-ethyl-1-N-(3-methylphenyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 63402660
4-(4-aminophenyl)-N-ethyl-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 39131522
N-ethyl-6-hydrazinyl-5-methyl-N-(3-methylphenyl)pyrimidin-4-amine
CID 80899461
ethane;N-ethyl-2-methyl-N-(3-methylphenyl)aniline
CID 142266780
2-chloro-4-N-ethyl-5-methyl-4-N-(3-methylphenyl)benzene-1,4-diamine
CID 115554643

Frequently Asked Questions

What is the IUPAC name of 5-N-ethyl-4-methyl-5-N-(3-methylphenyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-ethyl-4-methyl-5-N-(3-methylphenyl)-1,2-thiazole-3,5-diamine (CID 103360645) is 5-N-ethyl-4-methyl-5-N-(3-methylphenyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-ethyl-4-methyl-5-N-(3-methylphenyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-ethyl-4-methyl-5-N-(3-methylphenyl)-1,2-thiazole-3,5-diamine is CCN(c1cccc(C)c1)c1snc(N)c1C.
What is the InChIKey of 5-N-ethyl-4-methyl-5-N-(3-methylphenyl)-1,2-thiazole-3,5-diamine?
The InChIKey is BSAHMUQHRQBWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-4-16(11-7-5-6-9(2)8-11)13-10(3)12(14)15-17-13/h5-8H,4H2,1-3H3,(H2,14,15).
What are the key properties of 5-N-ethyl-4-methyl-5-N-(3-methylphenyl)-1,2-thiazole-3,5-diamine?
5-N-ethyl-4-methyl-5-N-(3-methylphenyl)-1,2-thiazole-3,5-diamine has a molecular weight of 247.37 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-ethyl-4-methyl-5-N-(3-methylphenyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103360645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).