3-methyl-4-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1,2-thiazol-5-amine

C10H9N5S2 — CID 79391458

IUPAC3-methyl-4-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1,2-thiazol-5-amine
SMILESCc1nsc(N)c1-c1n[nH]c(-c2cccs2)n1
InChIInChI=1S/C10H9N5S2/c1-5-7(8(11)17-15-5)10-12-9(13-14-10)6-3-2-4-16-6/h2-4H,11H2,1H3,(H,12,13,14)
InChIKeyFFUXFULFIUHOFX-UHFFFAOYSA-N
MW263.35 g/mol
LogP2.55
Rot. Bonds2

About 3-methyl-4-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1,2-thiazol-5-amine

3-methyl-4-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1,2-thiazol-5-amine (PubChem CID 79391458) has the molecular formula C10H9N5S2 and a molecular weight of 263.35 g/mol. Its IUPAC name is 3-methyl-4-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1,2-thiazol-5-amine.

Molecular Properties

Compound Name3-methyl-4-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1,2-thiazol-5-amine
PubChem CID79391458
Molecular FormulaC10H9N5S2
Molecular Weight263.35 g/mol
Exact Mass263.03
IUPAC Name3-methyl-4-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1,2-thiazol-5-amine
SMILESCc1nsc(N)c1-c1n[nH]c(-c2cccs2)n1
InChIInChI=1S/C10H9N5S2/c1-5-7(8(11)17-15-5)10-12-9(13-14-10)6-3-2-4-16-6/h2-4H,11H2,1H3,(H,12,13,14)
InChIKeyFFUXFULFIUHOFX-UHFFFAOYSA-N
XLogP2.55
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.35
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1,2-thiazol-5-amine?
The IUPAC name of 3-methyl-4-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1,2-thiazol-5-amine (CID 79391458) is 3-methyl-4-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1,2-thiazol-5-amine.
What is the SMILES notation for 3-methyl-4-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1,2-thiazol-5-amine?
The canonical SMILES for 3-methyl-4-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1,2-thiazol-5-amine is Cc1nsc(N)c1-c1n[nH]c(-c2cccs2)n1.
What is the InChIKey of 3-methyl-4-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1,2-thiazol-5-amine?
The InChIKey is FFUXFULFIUHOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5S2/c1-5-7(8(11)17-15-5)10-12-9(13-14-10)6-3-2-4-16-6/h2-4H,11H2,1H3,(H,12,13,14).
What are the key properties of 3-methyl-4-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1,2-thiazol-5-amine?
3-methyl-4-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1,2-thiazol-5-amine has a molecular weight of 263.35 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1,2-thiazol-5-amine is sourced from PubChem (CID 79391458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).