3-(2-methoxypropylsulfanyl)-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole

C11H15N3OS2 — CID 167958102

IUPAC3-(2-methoxypropylsulfanyl)-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole
SMILESCOC(C)CSc1n[nH]c(Cc2cccs2)n1
InChIInChI=1S/C11H15N3OS2/c1-8(15-2)7-17-11-12-10(13-14-11)6-9-4-3-5-16-9/h3-5,8H,6-7H2,1-2H3,(H,12,13,14)
InChIKeyVJSWJOVVBSNZEY-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.58
Rot. Bonds6

About 3-(2-methoxypropylsulfanyl)-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole

3-(2-methoxypropylsulfanyl)-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole (PubChem CID 167958102) has the molecular formula C11H15N3OS2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-(2-methoxypropylsulfanyl)-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-(2-methoxypropylsulfanyl)-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole
PubChem CID167958102
Molecular FormulaC11H15N3OS2
Molecular Weight269.39 g/mol
Exact Mass269.07
IUPAC Name3-(2-methoxypropylsulfanyl)-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole
SMILESCOC(C)CSc1n[nH]c(Cc2cccs2)n1
InChIInChI=1S/C11H15N3OS2/c1-8(15-2)7-17-11-12-10(13-14-11)6-9-4-3-5-16-9/h3-5,8H,6-7H2,1-2H3,(H,12,13,14)
InChIKeyVJSWJOVVBSNZEY-UHFFFAOYSA-N
XLogP2.58
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-(1-phenylethyl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 18145403
2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16607216
3-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole
CID 18145400
3-(4-methoxyphenyl)-5-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 18144398
3-(4-methoxyphenyl)-5-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole
CID 16607630
3-methyl-5-[1-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,2,4-oxadiazole
CID 134052449
3-[(3-bromophenyl)methylsulfanyl]-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole
CID 18278341
N-(3-methyl-1,2-oxazol-5-yl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 18145455
N,N-dibenzyl-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16607337
1-(5-chlorothiophen-2-yl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 16607344
3-[[(2R)-oxolan-2-yl]methylsulfanyl]-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole
CID 94192131
N-carbamoyl-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16607429

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxypropylsulfanyl)-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole?
The IUPAC name of 3-(2-methoxypropylsulfanyl)-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole (CID 167958102) is 3-(2-methoxypropylsulfanyl)-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole.
What is the SMILES notation for 3-(2-methoxypropylsulfanyl)-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole?
The canonical SMILES for 3-(2-methoxypropylsulfanyl)-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole is COC(C)CSc1n[nH]c(Cc2cccs2)n1.
What is the InChIKey of 3-(2-methoxypropylsulfanyl)-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole?
The InChIKey is VJSWJOVVBSNZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS2/c1-8(15-2)7-17-11-12-10(13-14-11)6-9-4-3-5-16-9/h3-5,8H,6-7H2,1-2H3,(H,12,13,14).
What are the key properties of 3-(2-methoxypropylsulfanyl)-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole?
3-(2-methoxypropylsulfanyl)-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole has a molecular weight of 269.39 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxypropylsulfanyl)-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole is sourced from PubChem (CID 167958102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).