N-(3-amino-3-sulfanylidenepropyl)thiadiazole-5-carboxamide

C6H8N4OS2 — CID 65215199

IUPACN-(3-amino-3-sulfanylidenepropyl)thiadiazole-5-carboxamide
SMILESNC(=S)CCNC(=O)c1cnns1
InChIInChI=1S/C6H8N4OS2/c7-5(12)1-2-8-6(11)4-3-9-10-13-4/h3H,1-2H2,(H2,7,12)(H,8,11)
InChIKeyDDRMLKZTQIMXRF-UHFFFAOYSA-N
MW216.29 g/mol
LogP-0.06
Rot. Bonds4

About N-(3-amino-3-sulfanylidenepropyl)thiadiazole-5-carboxamide

N-(3-amino-3-sulfanylidenepropyl)thiadiazole-5-carboxamide (PubChem CID 65215199) has the molecular formula C6H8N4OS2 and a molecular weight of 216.29 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)thiadiazole-5-carboxamide
PubChem CID65215199
Molecular FormulaC6H8N4OS2
Molecular Weight216.29 g/mol
Exact Mass216.01
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)thiadiazole-5-carboxamide
SMILESNC(=S)CCNC(=O)c1cnns1
InChIInChI=1S/C6H8N4OS2/c7-5(12)1-2-8-6(11)4-3-9-10-13-4/h3H,1-2H2,(H2,7,12)(H,8,11)
InChIKeyDDRMLKZTQIMXRF-UHFFFAOYSA-N
XLogP-0.06
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 5-0.06
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-[2-(propan-2-ylamino)ethyl]thiadiazole-5-carboxamide
CID 62664375
(2S)-2-hydroxy-4-(thiadiazole-5-carbonylamino)butanoic acid
CID 107834372
2-hydroxy-4-(thiadiazole-5-carbonylamino)butanoic acid
CID 107832176
N-(3-amino-3-sulfanylidenepropyl)-5-methylthiophene-2-carboxamide
CID 62665926
N-(2-amino-2-sulfanylideneethyl)-N-propan-2-ylthiadiazole-5-carboxamide
CID 65215567
N-[(3-hydroxythiolan-3-yl)methyl]thiadiazole-5-carboxamide
CID 166208940
N-(3-methyl-2-propan-2-ylbutyl)thiadiazole-5-carboxamide
CID 102914845
N-[(5-amino-1H-pyrazol-4-yl)methyl]thiadiazole-5-carboxamide
CID 79531188
N-(3-amino-3-sulfanylidenepropyl)-1-benzothiophene-2-carboxamide
CID 62668366
N-(1-hydroxypropan-2-yl)thiadiazole-5-carboxamide
CID 43522681
methyl 2-(thiadiazole-5-carbonylamino)propanoate
CID 61037921
N-[(2R)-2-(ethylamino)propyl]thiadiazole-5-carboxamide;hydrochloride
CID 120651512

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)thiadiazole-5-carboxamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)thiadiazole-5-carboxamide (CID 65215199) is N-(3-amino-3-sulfanylidenepropyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)thiadiazole-5-carboxamide is NC(=S)CCNC(=O)c1cnns1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)thiadiazole-5-carboxamide?
The InChIKey is DDRMLKZTQIMXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4OS2/c7-5(12)1-2-8-6(11)4-3-9-10-13-4/h3H,1-2H2,(H2,7,12)(H,8,11).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)thiadiazole-5-carboxamide?
N-(3-amino-3-sulfanylidenepropyl)thiadiazole-5-carboxamide has a molecular weight of 216.29 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 65215199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).