N-(1-amino-1-sulfanylidenebutan-2-yl)thiadiazole-4-carboxamide

C7H10N4OS2 — CID 65216211

IUPACN-(1-amino-1-sulfanylidenebutan-2-yl)thiadiazole-4-carboxamide
SMILESCCC(NC(=O)c1csnn1)C(N)=S
InChIInChI=1S/C7H10N4OS2/c1-2-4(6(8)13)9-7(12)5-3-14-11-10-5/h3-4H,2H2,1H3,(H2,8,13)(H,9,12)
InChIKeyWWBLANRZPVUHFS-UHFFFAOYSA-N
MW230.32 g/mol
LogP0.33
Rot. Bonds4

About N-(1-amino-1-sulfanylidenebutan-2-yl)thiadiazole-4-carboxamide

N-(1-amino-1-sulfanylidenebutan-2-yl)thiadiazole-4-carboxamide (PubChem CID 65216211) has the molecular formula C7H10N4OS2 and a molecular weight of 230.32 g/mol. Its IUPAC name is N-(1-amino-1-sulfanylidenebutan-2-yl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-sulfanylidenebutan-2-yl)thiadiazole-4-carboxamide
PubChem CID65216211
Molecular FormulaC7H10N4OS2
Molecular Weight230.32 g/mol
Exact Mass230.03
IUPAC NameN-(1-amino-1-sulfanylidenebutan-2-yl)thiadiazole-4-carboxamide
SMILESCCC(NC(=O)c1csnn1)C(N)=S
InChIInChI=1S/C7H10N4OS2/c1-2-4(6(8)13)9-7(12)5-3-14-11-10-5/h3-4H,2H2,1H3,(H2,8,13)(H,9,12)
InChIKeyWWBLANRZPVUHFS-UHFFFAOYSA-N
XLogP0.33
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.32
LogP ≤ 50.33
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

N-(1-chlorobutan-2-yl)thiadiazole-4-carboxamide
CID 114294773
(2S,3S)-3-methyl-2-(thiadiazole-4-carbonylamino)pentanoic acid
CID 65214443
5-methoxy-2-(thiadiazole-4-carbonylamino)pentanoic acid
CID 81076497
N-(1-amino-1-sulfanylidenebutan-2-yl)propanamide
CID 61119498
(2R)-2-(thiadiazole-4-carbonylamino)hexanedioic acid
CID 114006173
N-hex-1-yn-3-ylthiadiazole-4-carboxamide
CID 103529036
3-ethyl-1-(thiadiazol-4-yl)pentan-1-one
CID 105125484
(2S)-2-phenyl-2-(thiadiazole-4-carbonylamino)acetic acid
CID 103804690
N-(1-bromo-4-methylpentan-3-yl)thiadiazole-4-carboxamide
CID 106355309
N-(1-amino-1-sulfanylidenebutan-2-yl)-3-hydroxy-2-methylbenzamide
CID 82829704
N-(1-amino-1-sulfanylidenebutan-2-yl)-2-hydroxy-5-iodobenzamide
CID 107731519
N-(1-amino-1-sulfanylidenebutan-2-yl)-4-hydroxy-3-methylbenzamide
CID 107675964

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-sulfanylidenebutan-2-yl)thiadiazole-4-carboxamide?
The IUPAC name of N-(1-amino-1-sulfanylidenebutan-2-yl)thiadiazole-4-carboxamide (CID 65216211) is N-(1-amino-1-sulfanylidenebutan-2-yl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-(1-amino-1-sulfanylidenebutan-2-yl)thiadiazole-4-carboxamide?
The canonical SMILES for N-(1-amino-1-sulfanylidenebutan-2-yl)thiadiazole-4-carboxamide is CCC(NC(=O)c1csnn1)C(N)=S.
What is the InChIKey of N-(1-amino-1-sulfanylidenebutan-2-yl)thiadiazole-4-carboxamide?
The InChIKey is WWBLANRZPVUHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4OS2/c1-2-4(6(8)13)9-7(12)5-3-14-11-10-5/h3-4H,2H2,1H3,(H2,8,13)(H,9,12).
What are the key properties of N-(1-amino-1-sulfanylidenebutan-2-yl)thiadiazole-4-carboxamide?
N-(1-amino-1-sulfanylidenebutan-2-yl)thiadiazole-4-carboxamide has a molecular weight of 230.32 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-sulfanylidenebutan-2-yl)thiadiazole-4-carboxamide is sourced from PubChem (CID 65216211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).