(1,1-dioxothiolan-3-yl)-(1,2-thiazol-4-yl)methanamine

C8H12N2O2S2 — CID 164648502

IUPAC(1,1-dioxothiolan-3-yl)-(1,2-thiazol-4-yl)methanamine
SMILESNC(c1cnsc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H12N2O2S2/c9-8(7-3-10-13-4-7)6-1-2-14(11,12)5-6/h3-4,6,8H,1-2,5,9H2
InChIKeyLIGIGNFXOHIULJ-UHFFFAOYSA-N
MW232.33 g/mol
LogP0.58
Rot. Bonds2

About (1,1-dioxothiolan-3-yl)-(1,2-thiazol-4-yl)methanamine

(1,1-dioxothiolan-3-yl)-(1,2-thiazol-4-yl)methanamine (PubChem CID 164648502) has the molecular formula C8H12N2O2S2 and a molecular weight of 232.33 g/mol. Its IUPAC name is (1,1-dioxothiolan-3-yl)-(1,2-thiazol-4-yl)methanamine.

Molecular Properties

Compound Name(1,1-dioxothiolan-3-yl)-(1,2-thiazol-4-yl)methanamine
PubChem CID164648502
Molecular FormulaC8H12N2O2S2
Molecular Weight232.33 g/mol
Exact Mass232.03
IUPAC Name(1,1-dioxothiolan-3-yl)-(1,2-thiazol-4-yl)methanamine
SMILESNC(c1cnsc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H12N2O2S2/c9-8(7-3-10-13-4-7)6-1-2-14(11,12)5-6/h3-4,6,8H,1-2,5,9H2
InChIKeyLIGIGNFXOHIULJ-UHFFFAOYSA-N
XLogP0.58
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1,1-dioxothiolan-3-yl)-(1,2-thiazol-4-yl)methanamine?
The IUPAC name of (1,1-dioxothiolan-3-yl)-(1,2-thiazol-4-yl)methanamine (CID 164648502) is (1,1-dioxothiolan-3-yl)-(1,2-thiazol-4-yl)methanamine.
What is the SMILES notation for (1,1-dioxothiolan-3-yl)-(1,2-thiazol-4-yl)methanamine?
The canonical SMILES for (1,1-dioxothiolan-3-yl)-(1,2-thiazol-4-yl)methanamine is NC(c1cnsc1)C1CCS(=O)(=O)C1.
What is the InChIKey of (1,1-dioxothiolan-3-yl)-(1,2-thiazol-4-yl)methanamine?
The InChIKey is LIGIGNFXOHIULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S2/c9-8(7-3-10-13-4-7)6-1-2-14(11,12)5-6/h3-4,6,8H,1-2,5,9H2.
What are the key properties of (1,1-dioxothiolan-3-yl)-(1,2-thiazol-4-yl)methanamine?
(1,1-dioxothiolan-3-yl)-(1,2-thiazol-4-yl)methanamine has a molecular weight of 232.33 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxothiolan-3-yl)-(1,2-thiazol-4-yl)methanamine is sourced from PubChem (CID 164648502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).