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

C13H24N2O2S2 — CID 107154214

IUPAC5-(2,2-dimethylpropyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)(C)CC1CN=C(NC2(C)CCS(=O)(=O)C2)S1
InChIInChI=1S/C13H24N2O2S2/c1-12(2,3)7-10-8-14-11(18-10)15-13(4)5-6-19(16,17)9-13/h10H,5-9H2,1-4H3,(H,14,15)
InChIKeyJJIIBZQSYMEEPL-UHFFFAOYSA-N
MW304.48 g/mol
LogP2.06
Rot. Bonds2

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

5-(2,2-dimethylpropyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107154214) has the molecular formula C13H24N2O2S2 and a molecular weight of 304.48 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107154214
Molecular FormulaC13H24N2O2S2
Molecular Weight304.48 g/mol
Exact Mass304.13
IUPAC Name5-(2,2-dimethylpropyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)(C)CC1CN=C(NC2(C)CCS(=O)(=O)C2)S1
InChIInChI=1S/C13H24N2O2S2/c1-12(2,3)7-10-8-14-11(18-10)15-13(4)5-6-19(16,17)9-13/h10H,5-9H2,1-4H3,(H,14,15)
InChIKeyJJIIBZQSYMEEPL-UHFFFAOYSA-N
XLogP2.06
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-(2,2-dimethylpropyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine (CID 107154214) is 5-(2,2-dimethylpropyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2,2-dimethylpropyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)(C)CC1CN=C(NC2(C)CCS(=O)(=O)C2)S1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is JJIIBZQSYMEEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S2/c1-12(2,3)7-10-8-14-11(18-10)15-13(4)5-6-19(16,17)9-13/h10H,5-9H2,1-4H3,(H,14,15).
What are the key properties of 5-(2,2-dimethylpropyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine?
5-(2,2-dimethylpropyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 304.48 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107154214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).