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

C8H14N2O2S2 — CID 43439889

IUPACN-(1,1-dioxothiolan-3-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(NC2CCS(=O)(=O)C2)S1
InChIInChI=1S/C8H14N2O2S2/c1-6-4-9-8(13-6)10-7-2-3-14(11,12)5-7/h6-7H,2-5H2,1H3,(H,9,10)
InChIKeyGETRIIZLPPKSAR-UHFFFAOYSA-N
MW234.35 g/mol
LogP0.25
Rot. Bonds1

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

N-(1,1-dioxothiolan-3-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 43439889) has the molecular formula C8H14N2O2S2 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID43439889
Molecular FormulaC8H14N2O2S2
Molecular Weight234.35 g/mol
Exact Mass234.05
IUPAC NameN-(1,1-dioxothiolan-3-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(NC2CCS(=O)(=O)C2)S1
InChIInChI=1S/C8H14N2O2S2/c1-6-4-9-8(13-6)10-7-2-3-14(11,12)5-7/h6-7H,2-5H2,1H3,(H,9,10)
InChIKeyGETRIIZLPPKSAR-UHFFFAOYSA-N
XLogP0.25
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 ≤ 50.25
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)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (CID 43439889) is N-(1,1-dioxothiolan-3-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is CC1CN=C(NC2CCS(=O)(=O)C2)S1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is GETRIIZLPPKSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S2/c1-6-4-9-8(13-6)10-7-2-3-14(11,12)5-7/h6-7H,2-5H2,1H3,(H,9,10).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(1,1-dioxothiolan-3-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 234.35 g/mol, XLogP of 0.25, 1 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)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 43439889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).