5-[4-(methoxymethyl)-2-propyl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione

C10H14N4OS2 — CID 82440161

IUPAC5-[4-(methoxymethyl)-2-propyl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione
SMILESCCCc1nc(COC)c(-c2nc(=S)[nH][nH]2)s1
InChIInChI=1S/C10H14N4OS2/c1-3-4-7-11-6(5-15-2)8(17-7)9-12-10(16)14-13-9/h3-5H2,1-2H3,(H2,12,13,14,16)
InChIKeyYFRSIYXNLZABPK-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.69
Rot. Bonds5

About 5-[4-(methoxymethyl)-2-propyl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione

5-[4-(methoxymethyl)-2-propyl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione (PubChem CID 82440161) has the molecular formula C10H14N4OS2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 5-[4-(methoxymethyl)-2-propyl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione.

Molecular Properties

Compound Name5-[4-(methoxymethyl)-2-propyl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione
PubChem CID82440161
Molecular FormulaC10H14N4OS2
Molecular Weight270.38 g/mol
Exact Mass270.06
IUPAC Name5-[4-(methoxymethyl)-2-propyl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione
SMILESCCCc1nc(COC)c(-c2nc(=S)[nH][nH]2)s1
InChIInChI=1S/C10H14N4OS2/c1-3-4-7-11-6(5-15-2)8(17-7)9-12-10(16)14-13-9/h3-5H2,1-2H3,(H2,12,13,14,16)
InChIKeyYFRSIYXNLZABPK-UHFFFAOYSA-N
XLogP2.69
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-(2-benzyl-4-ethyl-1,3-thiazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione
CID 82428393
1-[4-(methoxymethyl)-2-propyl-1,3-thiazol-5-yl]ethanone
CID 82440170
5-[2-[2-(dimethylamino)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione
CID 82435383
5-[2-(dimethylamino)-4-ethyl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione
CID 82430884
5-(4-ethyl-1,3-thiazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione
CID 82428071
5-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione
CID 82435902
4-(methoxymethyl)-2-propyl-1,3-thiazole-5-carboximidamide
CID 82440152
5-[4-methyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione
CID 82426366
5-[2-[(dimethylamino)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione
CID 82435185
5-[2-(diethylamino)-4-methyl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione
CID 82427841
N-[[4-(methoxymethyl)-2-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82440145
3-(4-methyl-2-propyl-1,3-thiazol-5-yl)-4-propyl-1H-1,2,4-triazole-5-thione
CID 82425765

Frequently Asked Questions

What is the IUPAC name of 5-[4-(methoxymethyl)-2-propyl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione?
The IUPAC name of 5-[4-(methoxymethyl)-2-propyl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione (CID 82440161) is 5-[4-(methoxymethyl)-2-propyl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione.
What is the SMILES notation for 5-[4-(methoxymethyl)-2-propyl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione?
The canonical SMILES for 5-[4-(methoxymethyl)-2-propyl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione is CCCc1nc(COC)c(-c2nc(=S)[nH][nH]2)s1.
What is the InChIKey of 5-[4-(methoxymethyl)-2-propyl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione?
The InChIKey is YFRSIYXNLZABPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS2/c1-3-4-7-11-6(5-15-2)8(17-7)9-12-10(16)14-13-9/h3-5H2,1-2H3,(H2,12,13,14,16).
What are the key properties of 5-[4-(methoxymethyl)-2-propyl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione?
5-[4-(methoxymethyl)-2-propyl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione has a molecular weight of 270.38 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(methoxymethyl)-2-propyl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione is sourced from PubChem (CID 82440161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).