5-amino-N-(1,1-dioxothiolan-3-yl)-1,3,4-thiadiazole-2-carboxamide

C7H10N4O3S2 — CID 80617754

IUPAC5-amino-N-(1,1-dioxothiolan-3-yl)-1,3,4-thiadiazole-2-carboxamide
SMILESNc1nnc(C(=O)NC2CCS(=O)(=O)C2)s1
InChIInChI=1S/C7H10N4O3S2/c8-7-11-10-6(15-7)5(12)9-4-1-2-16(13,14)3-4/h4H,1-3H2,(H2,8,11)(H,9,12)
InChIKeyCEIBNASGGCEGAV-UHFFFAOYSA-N
MW262.32 g/mol
LogP-0.96
Rot. Bonds2

About 5-amino-N-(1,1-dioxothiolan-3-yl)-1,3,4-thiadiazole-2-carboxamide

5-amino-N-(1,1-dioxothiolan-3-yl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80617754) has the molecular formula C7H10N4O3S2 and a molecular weight of 262.32 g/mol. Its IUPAC name is 5-amino-N-(1,1-dioxothiolan-3-yl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(1,1-dioxothiolan-3-yl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80617754
Molecular FormulaC7H10N4O3S2
Molecular Weight262.32 g/mol
Exact Mass262.02
IUPAC Name5-amino-N-(1,1-dioxothiolan-3-yl)-1,3,4-thiadiazole-2-carboxamide
SMILESNc1nnc(C(=O)NC2CCS(=O)(=O)C2)s1
InChIInChI=1S/C7H10N4O3S2/c8-7-11-10-6(15-7)5(12)9-4-1-2-16(13,14)3-4/h4H,1-3H2,(H2,8,11)(H,9,12)
InChIKeyCEIBNASGGCEGAV-UHFFFAOYSA-N
XLogP-0.96
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110384620
5-amino-N-(1,1-dioxothiolan-3-yl)-2H-triazole-4-carboxamide
CID 110484766
N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide
CID 110852783
N-(1,1-dioxothiolan-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 110852841
5-amino-N-(1,1-dioxothiolan-3-yl)-2,4-dimethylbenzamide
CID 102704893
N,N'-bis[(3S)-1,1-dioxothiolan-3-yl]oxamide
CID 7102189
1,3-bis(1,1-dioxothiolan-3-yl)urea
CID 2831152
4-bromo-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 7083020
2-amino-N-(1,1-dioxothiolan-3-yl)-5-methylbenzamide
CID 62073959
N-(1,1-dioxothiolan-3-yl)-5-oxo-1,4-dihydropyrazole-3-carboxamide
CID 110467785
3-amino-N-(1,1-dioxothiolan-3-yl)thieno[2,3-c]pyridine-2-carboxamide
CID 114289098
N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 40634625

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1,1-dioxothiolan-3-yl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-amino-N-(1,1-dioxothiolan-3-yl)-1,3,4-thiadiazole-2-carboxamide (CID 80617754) is 5-amino-N-(1,1-dioxothiolan-3-yl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-amino-N-(1,1-dioxothiolan-3-yl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-amino-N-(1,1-dioxothiolan-3-yl)-1,3,4-thiadiazole-2-carboxamide is Nc1nnc(C(=O)NC2CCS(=O)(=O)C2)s1.
What is the InChIKey of 5-amino-N-(1,1-dioxothiolan-3-yl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is CEIBNASGGCEGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3S2/c8-7-11-10-6(15-7)5(12)9-4-1-2-16(13,14)3-4/h4H,1-3H2,(H2,8,11)(H,9,12).
What are the key properties of 5-amino-N-(1,1-dioxothiolan-3-yl)-1,3,4-thiadiazole-2-carboxamide?
5-amino-N-(1,1-dioxothiolan-3-yl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 262.32 g/mol, XLogP of -0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1,1-dioxothiolan-3-yl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80617754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).