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

C10H15N5S2 — CID 82427841

IUPAC5-[2-(diethylamino)-4-methyl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione
SMILESCCN(CC)c1nc(C)c(-c2nc(=S)[nH][nH]2)s1
InChIInChI=1S/C10H15N5S2/c1-4-15(5-2)10-11-6(3)7(17-10)8-12-9(16)14-13-8/h4-5H2,1-3H3,(H2,12,13,14,16)
InChIKeyQKUFDTXCWWSWEO-UHFFFAOYSA-N
MW269.40 g/mol
LogP2.75
Rot. Bonds4

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

5-[2-(diethylamino)-4-methyl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione (PubChem CID 82427841) has the molecular formula C10H15N5S2 and a molecular weight of 269.40 g/mol. Its IUPAC name is 5-[2-(diethylamino)-4-methyl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione.

Molecular Properties

Compound Name5-[2-(diethylamino)-4-methyl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione
PubChem CID82427841
Molecular FormulaC10H15N5S2
Molecular Weight269.40 g/mol
Exact Mass269.08
IUPAC Name5-[2-(diethylamino)-4-methyl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione
SMILESCCN(CC)c1nc(C)c(-c2nc(=S)[nH][nH]2)s1
InChIInChI=1S/C10H15N5S2/c1-4-15(5-2)10-11-6(3)7(17-10)8-12-9(16)14-13-8/h4-5H2,1-3H3,(H2,12,13,14,16)
InChIKeyQKUFDTXCWWSWEO-UHFFFAOYSA-N
XLogP2.75
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.40
LogP ≤ 52.75
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-(dimethylamino)-4-ethyl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione
CID 82430884
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-(azepan-1-yl)-4-methyl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione
CID 82428026
5-[2-(diethylamino)-4-methyl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82427843
5-[2-(2,6-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione
CID 82425941
5-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione
CID 82438256
2-(diethylamino)-4-methyl-1,3-thiazole-5-carbaldehyde
CID 62764542
5-(2-aminopropan-2-yl)-N,N-diethyl-4-methyl-1,3-thiazol-2-amine
CID 82427840
5-[4-(methoxymethyl)-2-propyl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione
CID 82440161
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
N,N-diethyl-4-methyl-5-[2-(propylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine
CID 82427850

Frequently Asked Questions

What is the IUPAC name of 5-[2-(diethylamino)-4-methyl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione?
The IUPAC name of 5-[2-(diethylamino)-4-methyl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione (CID 82427841) is 5-[2-(diethylamino)-4-methyl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione.
What is the SMILES notation for 5-[2-(diethylamino)-4-methyl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione?
The canonical SMILES for 5-[2-(diethylamino)-4-methyl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione is CCN(CC)c1nc(C)c(-c2nc(=S)[nH][nH]2)s1.
What is the InChIKey of 5-[2-(diethylamino)-4-methyl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione?
The InChIKey is QKUFDTXCWWSWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5S2/c1-4-15(5-2)10-11-6(3)7(17-10)8-12-9(16)14-13-8/h4-5H2,1-3H3,(H2,12,13,14,16).
What are the key properties of 5-[2-(diethylamino)-4-methyl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione?
5-[2-(diethylamino)-4-methyl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione has a molecular weight of 269.40 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(diethylamino)-4-methyl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione is sourced from PubChem (CID 82427841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).