1-(4-methyl-1,2,4-triazol-3-yl)ethylthiourea

C6H11N5S — CID 62116971

IUPAC1-(4-methyl-1,2,4-triazol-3-yl)ethylthiourea
SMILESCC(NC(N)=S)c1nncn1C
InChIInChI=1S/C6H11N5S/c1-4(9-6(7)12)5-10-8-3-11(5)2/h3-4H,1-2H3,(H3,7,9,12)
InChIKeyUECDHGZWGCMREJ-UHFFFAOYSA-N
MW185.26 g/mol
LogP-0.29
Rot. Bonds2

About 1-(4-methyl-1,2,4-triazol-3-yl)ethylthiourea

1-(4-methyl-1,2,4-triazol-3-yl)ethylthiourea (PubChem CID 62116971) has the molecular formula C6H11N5S and a molecular weight of 185.26 g/mol. Its IUPAC name is 1-(4-methyl-1,2,4-triazol-3-yl)ethylthiourea.

Molecular Properties

Compound Name1-(4-methyl-1,2,4-triazol-3-yl)ethylthiourea
PubChem CID62116971
Molecular FormulaC6H11N5S
Molecular Weight185.26 g/mol
Exact Mass185.07
IUPAC Name1-(4-methyl-1,2,4-triazol-3-yl)ethylthiourea
SMILESCC(NC(N)=S)c1nncn1C
InChIInChI=1S/C6H11N5S/c1-4(9-6(7)12)5-10-8-3-11(5)2/h3-4H,1-2H3,(H3,7,9,12)
InChIKeyUECDHGZWGCMREJ-UHFFFAOYSA-N
XLogP-0.29
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.26
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-sulfanylidenepropanamide
CID 62117174
3-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanamide
CID 60837807
2-cyclopropyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]guanidine
CID 62364865
1-tert-butyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 115585810
2,2,2-trifluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 63374666
4-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzenecarbothioamide
CID 55038202
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide
CID 62119574
2-(aminomethyl)-3-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanamide
CID 55038246
4-carbamothioyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]oxane-4-carboxamide
CID 62116994
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol
CID 55211655
1-(2-methylpropoxy)-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 99640495
methyl 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanoate
CID 62118650

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,2,4-triazol-3-yl)ethylthiourea?
The IUPAC name of 1-(4-methyl-1,2,4-triazol-3-yl)ethylthiourea (CID 62116971) is 1-(4-methyl-1,2,4-triazol-3-yl)ethylthiourea.
What is the SMILES notation for 1-(4-methyl-1,2,4-triazol-3-yl)ethylthiourea?
The canonical SMILES for 1-(4-methyl-1,2,4-triazol-3-yl)ethylthiourea is CC(NC(N)=S)c1nncn1C.
What is the InChIKey of 1-(4-methyl-1,2,4-triazol-3-yl)ethylthiourea?
The InChIKey is UECDHGZWGCMREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5S/c1-4(9-6(7)12)5-10-8-3-11(5)2/h3-4H,1-2H3,(H3,7,9,12).
What are the key properties of 1-(4-methyl-1,2,4-triazol-3-yl)ethylthiourea?
1-(4-methyl-1,2,4-triazol-3-yl)ethylthiourea has a molecular weight of 185.26 g/mol, XLogP of -0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,2,4-triazol-3-yl)ethylthiourea is sourced from PubChem (CID 62116971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).