3-(4,5-dimethyl-1,3-thiazol-2-yl)-1,1-dioxothiolan-3-amine

C9H14N2O2S2 — CID 63165946

IUPAC3-(4,5-dimethyl-1,3-thiazol-2-yl)-1,1-dioxothiolan-3-amine
SMILESCc1nc(C2(N)CCS(=O)(=O)C2)sc1C
InChIInChI=1S/C9H14N2O2S2/c1-6-7(2)14-8(11-6)9(10)3-4-15(12,13)5-9/h3-5,10H2,1-2H3
InChIKeyGYJWMEOSLOBNMZ-UHFFFAOYSA-N
MW246.36 g/mol
LogP0.73
Rot. Bonds1

About 3-(4,5-dimethyl-1,3-thiazol-2-yl)-1,1-dioxothiolan-3-amine

3-(4,5-dimethyl-1,3-thiazol-2-yl)-1,1-dioxothiolan-3-amine (PubChem CID 63165946) has the molecular formula C9H14N2O2S2 and a molecular weight of 246.36 g/mol. Its IUPAC name is 3-(4,5-dimethyl-1,3-thiazol-2-yl)-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound Name3-(4,5-dimethyl-1,3-thiazol-2-yl)-1,1-dioxothiolan-3-amine
PubChem CID63165946
Molecular FormulaC9H14N2O2S2
Molecular Weight246.36 g/mol
Exact Mass246.05
IUPAC Name3-(4,5-dimethyl-1,3-thiazol-2-yl)-1,1-dioxothiolan-3-amine
SMILESCc1nc(C2(N)CCS(=O)(=O)C2)sc1C
InChIInChI=1S/C9H14N2O2S2/c1-6-7(2)14-8(11-6)9(10)3-4-15(12,13)5-9/h3-5,10H2,1-2H3
InChIKeyGYJWMEOSLOBNMZ-UHFFFAOYSA-N
XLogP0.73
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-1,1-dioxothiolan-3-amine?
The IUPAC name of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-1,1-dioxothiolan-3-amine (CID 63165946) is 3-(4,5-dimethyl-1,3-thiazol-2-yl)-1,1-dioxothiolan-3-amine.
What is the SMILES notation for 3-(4,5-dimethyl-1,3-thiazol-2-yl)-1,1-dioxothiolan-3-amine?
The canonical SMILES for 3-(4,5-dimethyl-1,3-thiazol-2-yl)-1,1-dioxothiolan-3-amine is Cc1nc(C2(N)CCS(=O)(=O)C2)sc1C.
What is the InChIKey of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-1,1-dioxothiolan-3-amine?
The InChIKey is GYJWMEOSLOBNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S2/c1-6-7(2)14-8(11-6)9(10)3-4-15(12,13)5-9/h3-5,10H2,1-2H3.
What are the key properties of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-1,1-dioxothiolan-3-amine?
3-(4,5-dimethyl-1,3-thiazol-2-yl)-1,1-dioxothiolan-3-amine has a molecular weight of 246.36 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-1,3-thiazol-2-yl)-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 63165946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).