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

C13H17N3S — CID 114281261

IUPAC4,5-dimethyl-2-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,2-diamine
SMILESCc1cc(N)c(NCCc2cscn2)cc1C
InChIInChI=1S/C13H17N3S/c1-9-5-12(14)13(6-10(9)2)15-4-3-11-7-17-8-16-11/h5-8,15H,3-4,14H2,1-2H3
InChIKeyFONXGNDJAIJZFJ-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.00
Rot. Bonds4

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

4,5-dimethyl-2-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,2-diamine (PubChem CID 114281261) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 4,5-dimethyl-2-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4,5-dimethyl-2-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,2-diamine
PubChem CID114281261
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name4,5-dimethyl-2-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,2-diamine
SMILESCc1cc(N)c(NCCc2cscn2)cc1C
InChIInChI=1S/C13H17N3S/c1-9-5-12(14)13(6-10(9)2)15-4-3-11-7-17-8-16-11/h5-8,15H,3-4,14H2,1-2H3
InChIKeyFONXGNDJAIJZFJ-UHFFFAOYSA-N
XLogP3.00
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4,5-dimethyl-2-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-5-methyl-4-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]aniline
CID 103269504
2-methyl-4-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]aniline
CID 63824138
2-methyl-4-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]aniline
CID 55260079
2,6-difluoro-1-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine
CID 63830219
4-N-[2-(1,3-thiazol-4-yl)ethyl]quinoline-4,7-diamine
CID 103001214
3-fluoro-1-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,2-diamine
CID 63829324
2-nitro-3-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,3-diamine
CID 80846275
2-ethoxy-4-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine
CID 63829691
6-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine
CID 63830272
5-propyl-4-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-4,6-diamine
CID 80846566
2-methyl-4-[2-(1,3-thiazol-4-yl)ethylamino]benzenecarbothioamide
CID 81276841
3-amino-4,5-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63829315

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,2-diamine?
The IUPAC name of 4,5-dimethyl-2-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,2-diamine (CID 114281261) is 4,5-dimethyl-2-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,2-diamine.
What is the SMILES notation for 4,5-dimethyl-2-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,2-diamine?
The canonical SMILES for 4,5-dimethyl-2-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,2-diamine is Cc1cc(N)c(NCCc2cscn2)cc1C.
What is the InChIKey of 4,5-dimethyl-2-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,2-diamine?
The InChIKey is FONXGNDJAIJZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-9-5-12(14)13(6-10(9)2)15-4-3-11-7-17-8-16-11/h5-8,15H,3-4,14H2,1-2H3.
What are the key properties of 4,5-dimethyl-2-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,2-diamine?
4,5-dimethyl-2-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,2-diamine has a molecular weight of 247.37 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,2-diamine is sourced from PubChem (CID 114281261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).