N,N-bis(sulfanyl)-1,3,5-triazine-2-carboxamide

C4H4N4OS2 — CID 57221905

IUPACN,N-bis(sulfanyl)-1,3,5-triazine-2-carboxamide
SMILESO=C(c1ncncn1)N(S)S
InChIInChI=1S/C4H4N4OS2/c9-4(8(10)11)3-6-1-5-2-7-3/h1-2,10-11H
InChIKeyFIVIREACZVXCIA-UHFFFAOYSA-N
MW188.24 g/mol
LogP0.00
Rot. Bonds1

About N,N-bis(sulfanyl)-1,3,5-triazine-2-carboxamide

N,N-bis(sulfanyl)-1,3,5-triazine-2-carboxamide (PubChem CID 57221905) has the molecular formula C4H4N4OS2 and a molecular weight of 188.24 g/mol. Its IUPAC name is N,N-bis(sulfanyl)-1,3,5-triazine-2-carboxamide.

Molecular Properties

Compound NameN,N-bis(sulfanyl)-1,3,5-triazine-2-carboxamide
PubChem CID57221905
Molecular FormulaC4H4N4OS2
Molecular Weight188.24 g/mol
Exact Mass187.98
IUPAC NameN,N-bis(sulfanyl)-1,3,5-triazine-2-carboxamide
SMILESO=C(c1ncncn1)N(S)S
InChIInChI=1S/C4H4N4OS2/c9-4(8(10)11)3-6-1-5-2-7-3/h1-2,10-11H
InChIKeyFIVIREACZVXCIA-UHFFFAOYSA-N
XLogP0.00
TPSA58.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.24
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-Carbamoyl-sym-triazine
CID 54264822
N-methylsulfanyl-1,3,5-triazine-2-carboxamide
CID 54480967
N-methyl-1,3,5-triazine-2-carboxamide
CID 67979738
N-carbamoyl-1,3,5-triazine-2-carboxamide
CID 68122432
4-(Dimethylamino)-1,3,5-triazine-2-carboxamide
CID 68499221
4-Methyl-1,3,5-triazine-2-carboxamide
CID 89902814
1,3,5-Triazine-2-carbonyl azide
CID 90757346
N-hydroxy-1,3,5-triazine-2-carboxamide
CID 156485027
1,3,5-Triazine-2-carboxamide;hydrochloride
CID 174617554

Frequently Asked Questions

What is the IUPAC name of N,N-bis(sulfanyl)-1,3,5-triazine-2-carboxamide?
The IUPAC name of N,N-bis(sulfanyl)-1,3,5-triazine-2-carboxamide (CID 57221905) is N,N-bis(sulfanyl)-1,3,5-triazine-2-carboxamide.
What is the SMILES notation for N,N-bis(sulfanyl)-1,3,5-triazine-2-carboxamide?
The canonical SMILES for N,N-bis(sulfanyl)-1,3,5-triazine-2-carboxamide is O=C(c1ncncn1)N(S)S.
What is the InChIKey of N,N-bis(sulfanyl)-1,3,5-triazine-2-carboxamide?
The InChIKey is FIVIREACZVXCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N4OS2/c9-4(8(10)11)3-6-1-5-2-7-3/h1-2,10-11H.
What are the key properties of N,N-bis(sulfanyl)-1,3,5-triazine-2-carboxamide?
N,N-bis(sulfanyl)-1,3,5-triazine-2-carboxamide has a molecular weight of 188.24 g/mol, XLogP of 0.00, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(sulfanyl)-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 57221905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).