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

C12H12N4S2 — CID 62732446

IUPAC4-methyl-5-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thiophen-2-amine
SMILESCc1cc(N)sc1-c1nc(-c2cccs2)nn1C
InChIInChI=1S/C12H12N4S2/c1-7-6-9(13)18-10(7)12-14-11(15-16(12)2)8-4-3-5-17-8/h3-6H,13H2,1-2H3
InChIKeyHLQSWRCEHHMION-UHFFFAOYSA-N
MW276.39 g/mol
LogP3.16
Rot. Bonds2

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

4-methyl-5-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thiophen-2-amine (PubChem CID 62732446) has the molecular formula C12H12N4S2 and a molecular weight of 276.39 g/mol. Its IUPAC name is 4-methyl-5-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thiophen-2-amine.

Molecular Properties

Compound Name4-methyl-5-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thiophen-2-amine
PubChem CID62732446
Molecular FormulaC12H12N4S2
Molecular Weight276.39 g/mol
Exact Mass276.05
IUPAC Name4-methyl-5-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thiophen-2-amine
SMILESCc1cc(N)sc1-c1nc(-c2cccs2)nn1C
InChIInChI=1S/C12H12N4S2/c1-7-6-9(13)18-10(7)12-14-11(15-16(12)2)8-4-3-5-17-8/h3-6H,13H2,1-2H3
InChIKeyHLQSWRCEHHMION-UHFFFAOYSA-N
XLogP3.16
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-3-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline
CID 63654749
3-methyl-4-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline
CID 62734324
4-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline
CID 62733759
4,5-difluoro-2-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline
CID 62867498
3-fluoro-2-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline
CID 62733008
3-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]aniline
CID 65345528
5-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4-methylthiophen-2-amine
CID 55111608
1,3-dimethyl-5-thiophen-2-ylpyrazolo[4,5-d]pyrimidin-7-amine
CID 142691977
3,3-dimethyl-5-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)pentan-1-amine
CID 65285410
1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)cyclopentan-1-amine
CID 62733191
3-bromo-1-methyl-5-thiophen-2-yl-1,2,4-triazole
CID 135039838
1-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
CID 64672891

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thiophen-2-amine?
The IUPAC name of 4-methyl-5-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thiophen-2-amine (CID 62732446) is 4-methyl-5-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thiophen-2-amine.
What is the SMILES notation for 4-methyl-5-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thiophen-2-amine?
The canonical SMILES for 4-methyl-5-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thiophen-2-amine is Cc1cc(N)sc1-c1nc(-c2cccs2)nn1C.
What is the InChIKey of 4-methyl-5-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thiophen-2-amine?
The InChIKey is HLQSWRCEHHMION-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4S2/c1-7-6-9(13)18-10(7)12-14-11(15-16(12)2)8-4-3-5-17-8/h3-6H,13H2,1-2H3.
What are the key properties of 4-methyl-5-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thiophen-2-amine?
4-methyl-5-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thiophen-2-amine has a molecular weight of 276.39 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thiophen-2-amine is sourced from PubChem (CID 62732446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).