N-[(1,1-dioxothiolan-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine

C8H14N2O2S2 — CID 62133069

IUPACN-[(1,1-dioxothiolan-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESO=S1(=O)CCC(CNC2=NCCS2)C1
InChIInChI=1S/C8H14N2O2S2/c11-14(12)4-1-7(6-14)5-10-8-9-2-3-13-8/h7H,1-6H2,(H,9,10)
InChIKeyISJHCOOJQLMNKT-UHFFFAOYSA-N
MW234.35 g/mol
LogP0.11
Rot. Bonds2

About N-[(1,1-dioxothiolan-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine

N-[(1,1-dioxothiolan-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 62133069) has the molecular formula C8H14N2O2S2 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID62133069
Molecular FormulaC8H14N2O2S2
Molecular Weight234.35 g/mol
Exact Mass234.05
IUPAC NameN-[(1,1-dioxothiolan-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESO=S1(=O)CCC(CNC2=NCCS2)C1
InChIInChI=1S/C8H14N2O2S2/c11-14(12)4-1-7(6-14)5-10-8-9-2-3-13-8/h7H,1-6H2,(H,9,10)
InChIKeyISJHCOOJQLMNKT-UHFFFAOYSA-N
XLogP0.11
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 62133069) is N-[(1,1-dioxothiolan-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(1,1-dioxothiolan-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[(1,1-dioxothiolan-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is O=S1(=O)CCC(CNC2=NCCS2)C1.
What is the InChIKey of N-[(1,1-dioxothiolan-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is ISJHCOOJQLMNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S2/c11-14(12)4-1-7(6-14)5-10-8-9-2-3-13-8/h7H,1-6H2,(H,9,10).
What are the key properties of N-[(1,1-dioxothiolan-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
N-[(1,1-dioxothiolan-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 234.35 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 62133069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).