(E)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)but-2-enimidamide

C7H10N4S — CID 145410697

IUPAC(E)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)but-2-enimidamide
SMILESC/C=C/C(N)=N\c1nc(C)ns1
InChIInChI=1S/C7H10N4S/c1-3-4-6(8)10-7-9-5(2)11-12-7/h3-4H,1-2H3,(H2,8,9,10,11)/b4-3+
InChIKeyUZXPTSWBCQERJW-ONEGZZNKSA-N
MW182.25 g/mol
LogP1.41
Rot. Bonds2

About (E)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)but-2-enimidamide

(E)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)but-2-enimidamide (PubChem CID 145410697) has the molecular formula C7H10N4S and a molecular weight of 182.25 g/mol. Its IUPAC name is (E)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)but-2-enimidamide.

Molecular Properties

Compound Name(E)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)but-2-enimidamide
PubChem CID145410697
Molecular FormulaC7H10N4S
Molecular Weight182.25 g/mol
Exact Mass182.06
IUPAC Name(E)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)but-2-enimidamide
SMILESC/C=C/C(N)=N\c1nc(C)ns1
InChIInChI=1S/C7H10N4S/c1-3-4-6(8)10-7-9-5(2)11-12-7/h3-4H,1-2H3,(H2,8,9,10,11)/b4-3+
InChIKeyUZXPTSWBCQERJW-ONEGZZNKSA-N
XLogP1.41
TPSA64.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(2-Aminoprop-1-enyl)-1,2,4-thiadiazol-5-amine
CID 89752784
5-Methyl-3-prop-1-enyl-1,2,4-thiadiazole
CID 91542463
3-[(E)-prop-1-enyl]-1,2,4-thiadiazol-5-amine
CID 144731094
5-methyl-3-[(E)-prop-1-enyl]-1,2,4-thiadiazole
CID 148086993
N'-(3-methyl-1,2,4-thiadiazol-5-yl)prop-2-enimidamide
CID 154039416
1-(3-Methyl-1,2,4-thiadiazol-5-yl)prop-1-en-2-amine
CID 71403164
(E)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)but-2-ene-1,4-diamine
CID 104462322
1-(3-Methyl-1,2,4-thiadiazol-5-yl)-3-prop-2-enylthiourea
CID 108491366
3-[(1E,3Z)-hexa-1,3,5-trienyl]-5-methyl-1,2,4-thiadiazole
CID 142930870
3-[(E)-but-2-en-2-yl]-1,2,4-thiadiazol-5-amine
CID 144642940

Frequently Asked Questions

What is the IUPAC name of (E)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)but-2-enimidamide?
The IUPAC name of (E)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)but-2-enimidamide (CID 145410697) is (E)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)but-2-enimidamide.
What is the SMILES notation for (E)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)but-2-enimidamide?
The canonical SMILES for (E)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)but-2-enimidamide is C/C=C/C(N)=N\c1nc(C)ns1.
What is the InChIKey of (E)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)but-2-enimidamide?
The InChIKey is UZXPTSWBCQERJW-ONEGZZNKSA-N. The full InChI is InChI=1S/C7H10N4S/c1-3-4-6(8)10-7-9-5(2)11-12-7/h3-4H,1-2H3,(H2,8,9,10,11)/b4-3+.
What are the key properties of (E)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)but-2-enimidamide?
(E)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)but-2-enimidamide has a molecular weight of 182.25 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)but-2-enimidamide is sourced from PubChem (CID 145410697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).