1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-prop-2-enylthiourea

C7H10N4S2 — CID 4763296

IUPAC1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-prop-2-enylthiourea
SMILESC=CCNC(=S)Nc1nnc(C)s1
InChIInChI=1S/C7H10N4S2/c1-3-4-8-6(12)9-7-11-10-5(2)13-7/h3H,1,4H2,2H3,(H2,8,9,11,12)
InChIKeyFQKRRQZDSRAIGL-UHFFFAOYSA-N
MW214.32 g/mol
LogP1.32
Rot. Bonds3

About 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-prop-2-enylthiourea

1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-prop-2-enylthiourea (PubChem CID 4763296) has the molecular formula C7H10N4S2 and a molecular weight of 214.32 g/mol. Its IUPAC name is 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-prop-2-enylthiourea.

Molecular Properties

Compound Name1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-prop-2-enylthiourea
PubChem CID4763296
Molecular FormulaC7H10N4S2
Molecular Weight214.32 g/mol
Exact Mass214.03
IUPAC Name1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-prop-2-enylthiourea
SMILESC=CCNC(=S)Nc1nnc(C)s1
InChIInChI=1S/C7H10N4S2/c1-3-4-8-6(12)9-7-11-10-5(2)13-7/h3H,1,4H2,2H3,(H2,8,9,11,12)
InChIKeyFQKRRQZDSRAIGL-UHFFFAOYSA-N
XLogP1.32
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.32
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-prop-2-enylthiourea?
The IUPAC name of 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-prop-2-enylthiourea (CID 4763296) is 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-prop-2-enylthiourea.
What is the SMILES notation for 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-prop-2-enylthiourea?
The canonical SMILES for 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-prop-2-enylthiourea is C=CCNC(=S)Nc1nnc(C)s1.
What is the InChIKey of 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-prop-2-enylthiourea?
The InChIKey is FQKRRQZDSRAIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4S2/c1-3-4-8-6(12)9-7-11-10-5(2)13-7/h3H,1,4H2,2H3,(H2,8,9,11,12).
What are the key properties of 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-prop-2-enylthiourea?
1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-prop-2-enylthiourea has a molecular weight of 214.32 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-prop-2-enylthiourea is sourced from PubChem (CID 4763296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).