1-carbamothioyl-N-(thiadiazol-5-yl)cyclopropane-1-carboxamide

C7H8N4OS2 — CID 114912664

IUPAC1-carbamothioyl-N-(thiadiazol-5-yl)cyclopropane-1-carboxamide
SMILESNC(=S)C1(C(=O)Nc2cnns2)CC1
InChIInChI=1S/C7H8N4OS2/c8-5(13)7(1-2-7)6(12)10-4-3-9-11-14-4/h3H,1-2H2,(H2,8,13)(H,10,12)
InChIKeyAFJSGMMJWCDQGM-UHFFFAOYSA-N
MW228.30 g/mol
LogP0.54
Rot. Bonds3

About 1-carbamothioyl-N-(thiadiazol-5-yl)cyclopropane-1-carboxamide

1-carbamothioyl-N-(thiadiazol-5-yl)cyclopropane-1-carboxamide (PubChem CID 114912664) has the molecular formula C7H8N4OS2 and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-carbamothioyl-N-(thiadiazol-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-(thiadiazol-5-yl)cyclopropane-1-carboxamide
PubChem CID114912664
Molecular FormulaC7H8N4OS2
Molecular Weight228.30 g/mol
Exact Mass228.01
IUPAC Name1-carbamothioyl-N-(thiadiazol-5-yl)cyclopropane-1-carboxamide
SMILESNC(=S)C1(C(=O)Nc2cnns2)CC1
InChIInChI=1S/C7H8N4OS2/c8-5(13)7(1-2-7)6(12)10-4-3-9-11-14-4/h3H,1-2H2,(H2,8,13)(H,10,12)
InChIKeyAFJSGMMJWCDQGM-UHFFFAOYSA-N
XLogP0.54
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-amino-N-(thiadiazol-5-yl)cyclobutane-1-carboxamide
CID 114912192
1-(aminomethyl)-N-(thiadiazol-5-yl)cyclobutane-1-carboxamide
CID 114912238
1-carbamothioyl-N-pyridin-4-ylcyclopropane-1-carboxamide
CID 80592502
1-carbamothioyl-N-(thiatriazol-5-yl)cyclopentane-1-carboxamide
CID 114912682
1-carbamothioyl-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide
CID 80589522
1-carbamothioyl-N-(thiatriazol-5-yl)cyclobutane-1-carboxamide
CID 114912668
2-(1-aminocyclopentyl)-N-(thiadiazol-5-yl)acetamide
CID 114912339
4-amino-3-methyl-N-(thiadiazol-5-yl)oxolane-3-carboxamide
CID 114912292
5-carbamothioyl-N-(thiadiazol-5-yl)pyridine-2-carboxamide
CID 114912663
1-carbamothioyl-N-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 80591867
N-(5-bromo-4-methyl-2-pyridinyl)-1-carbamothioylcyclopropane-1-carboxamide
CID 80590582
1-carbamothioyl-N-(2,3,5,6-tetrafluorophenyl)cyclopropane-1-carboxamide
CID 107641986

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-(thiadiazol-5-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-(thiadiazol-5-yl)cyclopropane-1-carboxamide (CID 114912664) is 1-carbamothioyl-N-(thiadiazol-5-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-(thiadiazol-5-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-(thiadiazol-5-yl)cyclopropane-1-carboxamide is NC(=S)C1(C(=O)Nc2cnns2)CC1.
What is the InChIKey of 1-carbamothioyl-N-(thiadiazol-5-yl)cyclopropane-1-carboxamide?
The InChIKey is AFJSGMMJWCDQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4OS2/c8-5(13)7(1-2-7)6(12)10-4-3-9-11-14-4/h3H,1-2H2,(H2,8,13)(H,10,12).
What are the key properties of 1-carbamothioyl-N-(thiadiazol-5-yl)cyclopropane-1-carboxamide?
1-carbamothioyl-N-(thiadiazol-5-yl)cyclopropane-1-carboxamide has a molecular weight of 228.30 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-(thiadiazol-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 114912664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).