2-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazole-2,5-diamine

C8H12N6S — CID 102768451

IUPAC2-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazole-2,5-diamine
SMILESCn1cnnc1CCNc1ncc(N)s1
InChIInChI=1S/C8H12N6S/c1-14-5-12-13-7(14)2-3-10-8-11-4-6(9)15-8/h4-5H,2-3,9H2,1H3,(H,10,11)
InChIKeyZFRKMAXMROTNEH-UHFFFAOYSA-N
MW224.29 g/mol
LogP0.51
Rot. Bonds4

About 2-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazole-2,5-diamine

2-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazole-2,5-diamine (PubChem CID 102768451) has the molecular formula C8H12N6S and a molecular weight of 224.29 g/mol. Its IUPAC name is 2-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazole-2,5-diamine
PubChem CID102768451
Molecular FormulaC8H12N6S
Molecular Weight224.29 g/mol
Exact Mass224.08
IUPAC Name2-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazole-2,5-diamine
SMILESCn1cnnc1CCNc1ncc(N)s1
InChIInChI=1S/C8H12N6S/c1-14-5-12-13-7(14)2-3-10-8-11-4-6(9)15-8/h4-5H,2-3,9H2,1H3,(H,10,11)
InChIKeyZFRKMAXMROTNEH-UHFFFAOYSA-N
XLogP0.51
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-2-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2,4-diamine
CID 83266029
4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazol-2-amine
CID 63330580
5-bromo-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine
CID 63330454
5-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazol-2-amine
CID 106572864
2-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2,5-diamine
CID 102767758
4-methylsulfanyl-5-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine
CID 103361244
2-chloro-6-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 103321679
2-methyl-5-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-benzothiazole-5,6-diamine
CID 63332779
3-[(5-amino-1,3-thiazol-2-yl)amino]propanamide
CID 102767632
4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-benzothiazol-2-amine
CID 79147368
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 107124058
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cinnolin-4-amine
CID 63586757

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazole-2,5-diamine?
The IUPAC name of 2-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazole-2,5-diamine (CID 102768451) is 2-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazole-2,5-diamine.
What is the SMILES notation for 2-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazole-2,5-diamine?
The canonical SMILES for 2-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazole-2,5-diamine is Cn1cnnc1CCNc1ncc(N)s1.
What is the InChIKey of 2-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazole-2,5-diamine?
The InChIKey is ZFRKMAXMROTNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6S/c1-14-5-12-13-7(14)2-3-10-8-11-4-6(9)15-8/h4-5H,2-3,9H2,1H3,(H,10,11).
What are the key properties of 2-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazole-2,5-diamine?
2-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazole-2,5-diamine has a molecular weight of 224.29 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazole-2,5-diamine is sourced from PubChem (CID 102768451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).