5-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione

C10H14N4S2 — CID 82438256

IUPAC5-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione
SMILESCc1nc(C(C)(C)C)c(-c2nc(=S)[nH][nH]2)s1
InChIInChI=1S/C10H14N4S2/c1-5-11-7(10(2,3)4)6(16-5)8-12-9(15)14-13-8/h1-4H3,(H2,12,13,14,15)
InChIKeyDOBSQFVMLJWVJI-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.20
Rot. Bonds1

About 5-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione

5-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione (PubChem CID 82438256) has the molecular formula C10H14N4S2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 5-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione.

Molecular Properties

Compound Name5-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione
PubChem CID82438256
Molecular FormulaC10H14N4S2
Molecular Weight254.38 g/mol
Exact Mass254.07
IUPAC Name5-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione
SMILESCc1nc(C(C)(C)C)c(-c2nc(=S)[nH][nH]2)s1
InChIInChI=1S/C10H14N4S2/c1-5-11-7(10(2,3)4)6(16-5)8-12-9(15)14-13-8/h1-4H3,(H2,12,13,14,15)
InChIKeyDOBSQFVMLJWVJI-UHFFFAOYSA-N
XLogP3.20
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-(diethylamino)-4-methyl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione
CID 82427841
5-(6-tert-butyl-2-methyl-3-pyridinyl)-1,2-dihydro-1,2,4-triazole-3-thione
CID 82452186
5-bromo-4-tert-butyl-2-methyl-1,3-thiazole
CID 59263670
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-(2,6-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione
CID 82425941
4-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-N-methyl-1,3-thiazol-2-amine
CID 82438273
5-[2-(dimethylamino)-4-ethyl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione
CID 82430884
5-(4-methylthiophen-3-yl)-1,2-dihydro-1,2,4-triazole-3-thione
CID 79808399
(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)methanol
CID 82438236
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
5-[2-[(dimethylamino)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione
CID 82435185

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione?
The IUPAC name of 5-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione (CID 82438256) is 5-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione.
What is the SMILES notation for 5-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione?
The canonical SMILES for 5-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione is Cc1nc(C(C)(C)C)c(-c2nc(=S)[nH][nH]2)s1.
What is the InChIKey of 5-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione?
The InChIKey is DOBSQFVMLJWVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S2/c1-5-11-7(10(2,3)4)6(16-5)8-12-9(15)14-13-8/h1-4H3,(H2,12,13,14,15).
What are the key properties of 5-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione?
5-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione has a molecular weight of 254.38 g/mol, XLogP of 3.20, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione is sourced from PubChem (CID 82438256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).