N-(1,1-dioxothian-4-yl)-4,5-dihydro-1,3-thiazol-2-amine

C8H14N2O2S2 — CID 43615515

IUPACN-(1,1-dioxothian-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESO=S1(=O)CCC(NC2=NCCS2)CC1
InChIInChI=1S/C8H14N2O2S2/c11-14(12)5-1-7(2-6-14)10-8-9-3-4-13-8/h7H,1-6H2,(H,9,10)
InChIKeySHFDJBMGOBYUBV-UHFFFAOYSA-N
MW234.35 g/mol
LogP0.26
Rot. Bonds1

About N-(1,1-dioxothian-4-yl)-4,5-dihydro-1,3-thiazol-2-amine

N-(1,1-dioxothian-4-yl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 43615515) has the molecular formula C8H14N2O2S2 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID43615515
Molecular FormulaC8H14N2O2S2
Molecular Weight234.35 g/mol
Exact Mass234.05
IUPAC NameN-(1,1-dioxothian-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESO=S1(=O)CCC(NC2=NCCS2)CC1
InChIInChI=1S/C8H14N2O2S2/c11-14(12)5-1-7(2-6-14)10-8-9-3-4-13-8/h7H,1-6H2,(H,9,10)
InChIKeySHFDJBMGOBYUBV-UHFFFAOYSA-N
XLogP0.26
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-4-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(1,1-dioxothian-4-yl)-4,5-dihydro-1,3-thiazol-2-amine (CID 43615515) is N-(1,1-dioxothian-4-yl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(1,1-dioxothian-4-yl)-4,5-dihydro-1,3-thiazol-2-amine is O=S1(=O)CCC(NC2=NCCS2)CC1.
What is the InChIKey of N-(1,1-dioxothian-4-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is SHFDJBMGOBYUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S2/c11-14(12)5-1-7(2-6-14)10-8-9-3-4-13-8/h7H,1-6H2,(H,9,10).
What are the key properties of N-(1,1-dioxothian-4-yl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(1,1-dioxothian-4-yl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 234.35 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-4-yl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 43615515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).