5-(methylsulfanylmethyl)-N-[(3-methylthiophen-2-yl)methyl]-2H-triazole-4-carboxamide

C11H14N4OS2 — CID 68517307

IUPAC5-(methylsulfanylmethyl)-N-[(3-methylthiophen-2-yl)methyl]-2H-triazole-4-carboxamide
SMILESCSCc1n[nH]nc1C(=O)NCc1sccc1C
InChIInChI=1S/C11H14N4OS2/c1-7-3-4-18-9(7)5-12-11(16)10-8(6-17-2)13-15-14-10/h3-4H,5-6H2,1-2H3,(H,12,16)(H,13,14,15)
InChIKeyVIAVYSGDFGGOSE-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.97
Rot. Bonds5

About 5-(methylsulfanylmethyl)-N-[(3-methylthiophen-2-yl)methyl]-2H-triazole-4-carboxamide

5-(methylsulfanylmethyl)-N-[(3-methylthiophen-2-yl)methyl]-2H-triazole-4-carboxamide (PubChem CID 68517307) has the molecular formula C11H14N4OS2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 5-(methylsulfanylmethyl)-N-[(3-methylthiophen-2-yl)methyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-(methylsulfanylmethyl)-N-[(3-methylthiophen-2-yl)methyl]-2H-triazole-4-carboxamide
PubChem CID68517307
Molecular FormulaC11H14N4OS2
Molecular Weight282.39 g/mol
Exact Mass282.06
IUPAC Name5-(methylsulfanylmethyl)-N-[(3-methylthiophen-2-yl)methyl]-2H-triazole-4-carboxamide
SMILESCSCc1n[nH]nc1C(=O)NCc1sccc1C
InChIInChI=1S/C11H14N4OS2/c1-7-3-4-18-9(7)5-12-11(16)10-8(6-17-2)13-15-14-10/h3-4H,5-6H2,1-2H3,(H,12,16)(H,13,14,15)
InChIKeyVIAVYSGDFGGOSE-UHFFFAOYSA-N
XLogP1.97
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-N-[(3-methylthiophen-2-yl)methyl]pyridine-2-carboxamide
CID 78990763
1,1-dimethyl-3-[(3-methylthiophen-2-yl)methyl]urea
CID 115579180
2-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrrole-2,5-dicarboxamide
CID 166317088
5-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 47163642
2,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 112725782
5-chloro-N-[(3-methylthiophen-2-yl)methyl]pyrazine-2-carboxamide
CID 103803792
4,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 50969529
6-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-2-carboxamide
CID 78989446
3-fluoro-2-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 105386926
N-[(3-methylthiophen-2-yl)methyl]quinoline-2-carboxamide
CID 32958855
3-methyl-5-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]-1,2-thiazole-4-carboxamide
CID 32991237
4-amino-2-chloro-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 78984714

Frequently Asked Questions

What is the IUPAC name of 5-(methylsulfanylmethyl)-N-[(3-methylthiophen-2-yl)methyl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-(methylsulfanylmethyl)-N-[(3-methylthiophen-2-yl)methyl]-2H-triazole-4-carboxamide (CID 68517307) is 5-(methylsulfanylmethyl)-N-[(3-methylthiophen-2-yl)methyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-(methylsulfanylmethyl)-N-[(3-methylthiophen-2-yl)methyl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-(methylsulfanylmethyl)-N-[(3-methylthiophen-2-yl)methyl]-2H-triazole-4-carboxamide is CSCc1n[nH]nc1C(=O)NCc1sccc1C.
What is the InChIKey of 5-(methylsulfanylmethyl)-N-[(3-methylthiophen-2-yl)methyl]-2H-triazole-4-carboxamide?
The InChIKey is VIAVYSGDFGGOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS2/c1-7-3-4-18-9(7)5-12-11(16)10-8(6-17-2)13-15-14-10/h3-4H,5-6H2,1-2H3,(H,12,16)(H,13,14,15).
What are the key properties of 5-(methylsulfanylmethyl)-N-[(3-methylthiophen-2-yl)methyl]-2H-triazole-4-carboxamide?
5-(methylsulfanylmethyl)-N-[(3-methylthiophen-2-yl)methyl]-2H-triazole-4-carboxamide has a molecular weight of 282.39 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylsulfanylmethyl)-N-[(3-methylthiophen-2-yl)methyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 68517307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).