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

C9H13N5S2 — CID 82430884

IUPAC5-[2-(dimethylamino)-4-ethyl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione
SMILESCCc1nc(N(C)C)sc1-c1nc(=S)[nH][nH]1
InChIInChI=1S/C9H13N5S2/c1-4-5-6(7-11-8(15)13-12-7)16-9(10-5)14(2)3/h4H2,1-3H3,(H2,11,12,13,15)
InChIKeyGKVVJARYYZBVOC-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.22
Rot. Bonds3

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

5-[2-(dimethylamino)-4-ethyl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione (PubChem CID 82430884) has the molecular formula C9H13N5S2 and a molecular weight of 255.37 g/mol. Its IUPAC name is 5-[2-(dimethylamino)-4-ethyl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione.

Molecular Properties

Compound Name5-[2-(dimethylamino)-4-ethyl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione
PubChem CID82430884
Molecular FormulaC9H13N5S2
Molecular Weight255.37 g/mol
Exact Mass255.06
IUPAC Name5-[2-(dimethylamino)-4-ethyl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione
SMILESCCc1nc(N(C)C)sc1-c1nc(=S)[nH][nH]1
InChIInChI=1S/C9H13N5S2/c1-4-5-6(7-11-8(15)13-12-7)16-9(10-5)14(2)3/h4H2,1-3H3,(H2,11,12,13,15)
InChIKeyGKVVJARYYZBVOC-UHFFFAOYSA-N
XLogP2.22
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[2-(dimethylamino)-4-ethyl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione with MolForge

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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
5-[2-(diethylamino)-4-methyl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione
CID 82427841
5-(4-ethyl-1,3-thiazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione
CID 82428071
5-[4-ethyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione
CID 82430974
5-[4-(methoxymethyl)-2-propyl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione
CID 82440161
5-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione
CID 82435902
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-[2-(dimethylamino)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione
CID 82435383
5-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione
CID 82438256
5-[(tert-butylamino)methyl]-4-ethyl-N,N-dimethyl-1,3-thiazol-2-amine
CID 62765856
5-[4-methyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione
CID 82426366
5-[(butan-2-ylamino)methyl]-4-ethyl-N,N-dimethyl-1,3-thiazol-2-amine
CID 82430873

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)-4-ethyl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione?
The IUPAC name of 5-[2-(dimethylamino)-4-ethyl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione (CID 82430884) is 5-[2-(dimethylamino)-4-ethyl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione.
What is the SMILES notation for 5-[2-(dimethylamino)-4-ethyl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione?
The canonical SMILES for 5-[2-(dimethylamino)-4-ethyl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione is CCc1nc(N(C)C)sc1-c1nc(=S)[nH][nH]1.
What is the InChIKey of 5-[2-(dimethylamino)-4-ethyl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione?
The InChIKey is GKVVJARYYZBVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5S2/c1-4-5-6(7-11-8(15)13-12-7)16-9(10-5)14(2)3/h4H2,1-3H3,(H2,11,12,13,15).
What are the key properties of 5-[2-(dimethylamino)-4-ethyl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione?
5-[2-(dimethylamino)-4-ethyl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione has a molecular weight of 255.37 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)-4-ethyl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione is sourced from PubChem (CID 82430884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).