5-[(3-ethyl-1-methylpyrazol-4-yl)amino]-3H-1,3,4-thiadiazole-2-thione

C8H11N5S2 — CID 107463844

IUPAC5-[(3-ethyl-1-methylpyrazol-4-yl)amino]-3H-1,3,4-thiadiazole-2-thione
SMILESCCc1nn(C)cc1Nc1n[nH]c(=S)s1
InChIInChI=1S/C8H11N5S2/c1-3-5-6(4-13(2)12-5)9-7-10-11-8(14)15-7/h4H,3H2,1-2H3,(H,9,10)(H,11,14)
InChIKeyWSWZWIYWUWBAAV-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.24
Rot. Bonds3

About 5-[(3-ethyl-1-methylpyrazol-4-yl)amino]-3H-1,3,4-thiadiazole-2-thione

5-[(3-ethyl-1-methylpyrazol-4-yl)amino]-3H-1,3,4-thiadiazole-2-thione (PubChem CID 107463844) has the molecular formula C8H11N5S2 and a molecular weight of 241.34 g/mol. Its IUPAC name is 5-[(3-ethyl-1-methylpyrazol-4-yl)amino]-3H-1,3,4-thiadiazole-2-thione.

Molecular Properties

Compound Name5-[(3-ethyl-1-methylpyrazol-4-yl)amino]-3H-1,3,4-thiadiazole-2-thione
PubChem CID107463844
Molecular FormulaC8H11N5S2
Molecular Weight241.34 g/mol
Exact Mass241.05
IUPAC Name5-[(3-ethyl-1-methylpyrazol-4-yl)amino]-3H-1,3,4-thiadiazole-2-thione
SMILESCCc1nn(C)cc1Nc1n[nH]c(=S)s1
InChIInChI=1S/C8H11N5S2/c1-3-5-6(4-13(2)12-5)9-7-10-11-8(14)15-7/h4H,3H2,1-2H3,(H,9,10)(H,11,14)
InChIKeyWSWZWIYWUWBAAV-UHFFFAOYSA-N
XLogP2.24
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-1,3-thiazol-2-amine
CID 107463531
N-(3-ethyl-1-methylpyrazol-4-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 107463509
6-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-1,3-benzothiazol-2-amine
CID 107463946
N-(3-ethyl-1-methylpyrazol-4-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 103908134
N-(2,2-dimethylpropyl)-3-ethyl-1-methylpyrazol-4-amine
CID 115898031
5-(2,5-dimethylanilino)-3H-1,3,4-thiadiazole-2-thione
CID 2731412
3-ethyl-1-methyl-N-(1H-pyrazol-5-ylmethyl)pyrazol-4-amine
CID 115898042
(3-ethyl-1-methylpyrazol-4-yl)hydrazine
CID 107462607
3-N-(3-ethyl-1-methylpyrazol-4-yl)pyrazine-2,3-diamine
CID 107465112
3-ethyl-1-methyl-N-(1H-pyrrol-3-ylmethyl)pyrazol-4-amine
CID 115897990
N-(3-ethyl-1-methylpyrazol-4-yl)-4,4-dimethyl-5,6-dihydro-1,3-thiazin-2-amine
CID 107463962
(3-ethyl-1-methylpyrazol-4-yl)thiourea
CID 107462555

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethyl-1-methylpyrazol-4-yl)amino]-3H-1,3,4-thiadiazole-2-thione?
The IUPAC name of 5-[(3-ethyl-1-methylpyrazol-4-yl)amino]-3H-1,3,4-thiadiazole-2-thione (CID 107463844) is 5-[(3-ethyl-1-methylpyrazol-4-yl)amino]-3H-1,3,4-thiadiazole-2-thione.
What is the SMILES notation for 5-[(3-ethyl-1-methylpyrazol-4-yl)amino]-3H-1,3,4-thiadiazole-2-thione?
The canonical SMILES for 5-[(3-ethyl-1-methylpyrazol-4-yl)amino]-3H-1,3,4-thiadiazole-2-thione is CCc1nn(C)cc1Nc1n[nH]c(=S)s1.
What is the InChIKey of 5-[(3-ethyl-1-methylpyrazol-4-yl)amino]-3H-1,3,4-thiadiazole-2-thione?
The InChIKey is WSWZWIYWUWBAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S2/c1-3-5-6(4-13(2)12-5)9-7-10-11-8(14)15-7/h4H,3H2,1-2H3,(H,9,10)(H,11,14).
What are the key properties of 5-[(3-ethyl-1-methylpyrazol-4-yl)amino]-3H-1,3,4-thiadiazole-2-thione?
5-[(3-ethyl-1-methylpyrazol-4-yl)amino]-3H-1,3,4-thiadiazole-2-thione has a molecular weight of 241.34 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethyl-1-methylpyrazol-4-yl)amino]-3H-1,3,4-thiadiazole-2-thione is sourced from PubChem (CID 107463844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).