5-aminosulfanyl-1,3-thiazole-2-carboxamide

C4H5N3OS2 — CID 119093368

IUPAC5-aminosulfanyl-1,3-thiazole-2-carboxamide
SMILESNSc1cnc(C(N)=O)s1
InChIInChI=1S/C4H5N3OS2/c5-3(8)4-7-1-2(9-4)10-6/h1H,6H2,(H2,5,8)
InChIKeyYGITXTOLAMRRLL-UHFFFAOYSA-N
MW175.24 g/mol
LogP0.21
Rot. Bonds2

About 5-aminosulfanyl-1,3-thiazole-2-carboxamide

5-aminosulfanyl-1,3-thiazole-2-carboxamide (PubChem CID 119093368) has the molecular formula C4H5N3OS2 and a molecular weight of 175.24 g/mol. Its IUPAC name is 5-aminosulfanyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-aminosulfanyl-1,3-thiazole-2-carboxamide
PubChem CID119093368
Molecular FormulaC4H5N3OS2
Molecular Weight175.24 g/mol
Exact Mass174.99
IUPAC Name5-aminosulfanyl-1,3-thiazole-2-carboxamide
SMILESNSc1cnc(C(N)=O)s1
InChIInChI=1S/C4H5N3OS2/c5-3(8)4-7-1-2(9-4)10-6/h1H,6H2,(H2,5,8)
InChIKeyYGITXTOLAMRRLL-UHFFFAOYSA-N
XLogP0.21
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-aminosulfanyl-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-aminosulfanyl-1,3-thiazole-2-carboxamide (CID 119093368) is 5-aminosulfanyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-aminosulfanyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-aminosulfanyl-1,3-thiazole-2-carboxamide is NSc1cnc(C(N)=O)s1.
What is the InChIKey of 5-aminosulfanyl-1,3-thiazole-2-carboxamide?
The InChIKey is YGITXTOLAMRRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3OS2/c5-3(8)4-7-1-2(9-4)10-6/h1H,6H2,(H2,5,8).
What are the key properties of 5-aminosulfanyl-1,3-thiazole-2-carboxamide?
5-aminosulfanyl-1,3-thiazole-2-carboxamide has a molecular weight of 175.24 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminosulfanyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 119093368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).