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

C6H9N3O2S2 — CID 130816194

IUPAC2-N-(1,1-dioxothietan-3-yl)-1,3-thiazole-2,5-diamine
SMILESNc1cnc(NC2CS(=O)(=O)C2)s1
InChIInChI=1S/C6H9N3O2S2/c7-5-1-8-6(12-5)9-4-2-13(10,11)3-4/h1,4H,2-3,7H2,(H,8,9)
InChIKeyTTZJHZRBFFGQSU-UHFFFAOYSA-N
MW219.29 g/mol
LogP-0.07
Rot. Bonds2

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

2-N-(1,1-dioxothietan-3-yl)-1,3-thiazole-2,5-diamine (PubChem CID 130816194) has the molecular formula C6H9N3O2S2 and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-N-(1,1-dioxothietan-3-yl)-1,3-thiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(1,1-dioxothietan-3-yl)-1,3-thiazole-2,5-diamine
PubChem CID130816194
Molecular FormulaC6H9N3O2S2
Molecular Weight219.29 g/mol
Exact Mass219.01
IUPAC Name2-N-(1,1-dioxothietan-3-yl)-1,3-thiazole-2,5-diamine
SMILESNc1cnc(NC2CS(=O)(=O)C2)s1
InChIInChI=1S/C6H9N3O2S2/c7-5-1-8-6(12-5)9-4-2-13(10,11)3-4/h1,4H,2-3,7H2,(H,8,9)
InChIKeyTTZJHZRBFFGQSU-UHFFFAOYSA-N
XLogP-0.07
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(1,1-dioxothian-3-yl)-1,3-thiazole-2,5-diamine
CID 102768502
2-N-cyclohex-3-en-1-yl-1,3-thiazole-2,5-diamine
CID 102768646
2-N-(2-methylcyclopropyl)-1,3-thiazole-2,5-diamine
CID 102768294
N-(1,1-dioxothiolan-3-yl)-5-methyl-1,3-thiazol-2-amine
CID 16780957
5-[(5-amino-1,3-thiazol-2-yl)amino]-1-methylpiperidin-2-one
CID 102768578
5-bromo-N-(1,1-dioxothietan-3-yl)-1,3,4-thiadiazol-2-amine
CID 130921490
2-N-(1,1-dioxothietan-3-yl)pyridine-2,5-diamine
CID 130948244
2-(cyclopentylamino)-1,3-thiazole-5-sulfonamide
CID 133279976
6-chloro-N-(1,1-dioxothietan-3-yl)pyridazin-4-amine
CID 131209479
N-(1,1-dioxothietan-3-yl)-3-fluoropyridin-2-amine
CID 130949037
2-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-2,5-diamine
CID 106217375
2-N-(2-cyclopentyloxyethyl)-1,3-thiazole-2,5-diamine
CID 102768489

Frequently Asked Questions

What is the IUPAC name of 2-N-(1,1-dioxothietan-3-yl)-1,3-thiazole-2,5-diamine?
The IUPAC name of 2-N-(1,1-dioxothietan-3-yl)-1,3-thiazole-2,5-diamine (CID 130816194) is 2-N-(1,1-dioxothietan-3-yl)-1,3-thiazole-2,5-diamine.
What is the SMILES notation for 2-N-(1,1-dioxothietan-3-yl)-1,3-thiazole-2,5-diamine?
The canonical SMILES for 2-N-(1,1-dioxothietan-3-yl)-1,3-thiazole-2,5-diamine is Nc1cnc(NC2CS(=O)(=O)C2)s1.
What is the InChIKey of 2-N-(1,1-dioxothietan-3-yl)-1,3-thiazole-2,5-diamine?
The InChIKey is TTZJHZRBFFGQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S2/c7-5-1-8-6(12-5)9-4-2-13(10,11)3-4/h1,4H,2-3,7H2,(H,8,9).
What are the key properties of 2-N-(1,1-dioxothietan-3-yl)-1,3-thiazole-2,5-diamine?
2-N-(1,1-dioxothietan-3-yl)-1,3-thiazole-2,5-diamine has a molecular weight of 219.29 g/mol, XLogP of -0.07, 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-dioxothietan-3-yl)-1,3-thiazole-2,5-diamine is sourced from PubChem (CID 130816194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).