2-N-(1,1-dioxothian-3-yl)-1,3-thiazole-2,5-diamine

C8H13N3O2S2 — CID 102768502

IUPAC2-N-(1,1-dioxothian-3-yl)-1,3-thiazole-2,5-diamine
SMILESNc1cnc(NC2CCCS(=O)(=O)C2)s1
InChIInChI=1S/C8H13N3O2S2/c9-7-4-10-8(14-7)11-6-2-1-3-15(12,13)5-6/h4,6H,1-3,5,9H2,(H,10,11)
InChIKeyLPCNDVACPVQLSF-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.71
Rot. Bonds2

About 2-N-(1,1-dioxothian-3-yl)-1,3-thiazole-2,5-diamine

2-N-(1,1-dioxothian-3-yl)-1,3-thiazole-2,5-diamine (PubChem CID 102768502) has the molecular formula C8H13N3O2S2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-N-(1,1-dioxothian-3-yl)-1,3-thiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(1,1-dioxothian-3-yl)-1,3-thiazole-2,5-diamine
PubChem CID102768502
Molecular FormulaC8H13N3O2S2
Molecular Weight247.34 g/mol
Exact Mass247.04
IUPAC Name2-N-(1,1-dioxothian-3-yl)-1,3-thiazole-2,5-diamine
SMILESNc1cnc(NC2CCCS(=O)(=O)C2)s1
InChIInChI=1S/C8H13N3O2S2/c9-7-4-10-8(14-7)11-6-2-1-3-15(12,13)5-6/h4,6H,1-3,5,9H2,(H,10,11)
InChIKeyLPCNDVACPVQLSF-UHFFFAOYSA-N
XLogP0.71
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(1,1-dioxothietan-3-yl)-1,3-thiazole-2,5-diamine
CID 130816194
N-(1,1-dioxothiolan-3-yl)-5-methyl-1,3-thiazol-2-amine
CID 16780957
N-(1,1-dioxothian-3-yl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65272954
2-N-cyclohex-3-en-1-yl-1,3-thiazole-2,5-diamine
CID 102768646
2-bromo-1-N-(1,1-dioxothian-3-yl)benzene-1,4-diamine
CID 63923099
5-[(5-amino-1,3-thiazol-2-yl)amino]-1-methylpiperidin-2-one
CID 102768578
N-(1,1-dioxothian-3-yl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79519118
2-N-(2-methylcyclopropyl)-1,3-thiazole-2,5-diamine
CID 102768294
N-(1,1-dioxothian-3-yl)-3,4-dihydro-2H-pyrrol-5-amine
CID 79504359
N-(4-fluorophenyl)-1,1-dioxothian-3-amine
CID 63910257
2-N-(1,1-dioxothian-3-yl)quinoline-2,6-diamine
CID 63923297
4-[(1,1-dioxothian-3-yl)amino]benzenesulfonamide
CID 63908905

Frequently Asked Questions

What is the IUPAC name of 2-N-(1,1-dioxothian-3-yl)-1,3-thiazole-2,5-diamine?
The IUPAC name of 2-N-(1,1-dioxothian-3-yl)-1,3-thiazole-2,5-diamine (CID 102768502) is 2-N-(1,1-dioxothian-3-yl)-1,3-thiazole-2,5-diamine.
What is the SMILES notation for 2-N-(1,1-dioxothian-3-yl)-1,3-thiazole-2,5-diamine?
The canonical SMILES for 2-N-(1,1-dioxothian-3-yl)-1,3-thiazole-2,5-diamine is Nc1cnc(NC2CCCS(=O)(=O)C2)s1.
What is the InChIKey of 2-N-(1,1-dioxothian-3-yl)-1,3-thiazole-2,5-diamine?
The InChIKey is LPCNDVACPVQLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S2/c9-7-4-10-8(14-7)11-6-2-1-3-15(12,13)5-6/h4,6H,1-3,5,9H2,(H,10,11).
What are the key properties of 2-N-(1,1-dioxothian-3-yl)-1,3-thiazole-2,5-diamine?
2-N-(1,1-dioxothian-3-yl)-1,3-thiazole-2,5-diamine has a molecular weight of 247.34 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,1-dioxothian-3-yl)-1,3-thiazole-2,5-diamine is sourced from PubChem (CID 102768502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).