[2-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazol-5-yl]methanamine

C9H14N2O2S2 — CID 115337336

IUPAC[2-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazol-5-yl]methanamine
SMILESCc1nc(C2CCS(=O)(=O)C2)sc1CN
InChIInChI=1S/C9H14N2O2S2/c1-6-8(4-10)14-9(11-6)7-2-3-15(12,13)5-7/h7H,2-5,10H2,1H3
InChIKeyOLCLTILFFGKGQE-UHFFFAOYSA-N
MW246.36 g/mol
LogP0.81
Rot. Bonds2

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

[2-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazol-5-yl]methanamine (PubChem CID 115337336) has the molecular formula C9H14N2O2S2 and a molecular weight of 246.36 g/mol. Its IUPAC name is [2-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazol-5-yl]methanamine
PubChem CID115337336
Molecular FormulaC9H14N2O2S2
Molecular Weight246.36 g/mol
Exact Mass246.05
IUPAC Name[2-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazol-5-yl]methanamine
SMILESCc1nc(C2CCS(=O)(=O)C2)sc1CN
InChIInChI=1S/C9H14N2O2S2/c1-6-8(4-10)14-9(11-6)7-2-3-15(12,13)5-7/h7H,2-5,10H2,1H3
InChIKeyOLCLTILFFGKGQE-UHFFFAOYSA-N
XLogP0.81
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazol-5-yl]methanamine with MolForge

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Related Compounds

(2-cycloheptyl-4-methyl-1,3-thiazol-5-yl)methanamine
CID 65400000
[4-methyl-2-(thiolan-3-yl)-1,3-thiazol-5-yl]methanamine
CID 115028914
1-[2-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 115337095
ethyl 2-(1,1-dioxothiolan-3-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526256
[5-(1,1-dioxothiolan-3-yl)-3-methyl-1,2-oxazol-4-yl]methanamine
CID 105488145
N-[[4-tert-butyl-2-(1,1-dioxothiolan-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114362534
[2-(3-ethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 65414439
[2-(2,2-dimethylcyclopropyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 107925814
2-[2-(1,1-dioxothiolan-3-yl)-4,6-dimethylpyrimidin-5-yl]ethanamine
CID 113289879
methyl 5-amino-2-(1,1-dioxothiolan-3-yl)-1,3-thiazole-4-carboxylate
CID 103199795
2-(1,1-dioxothiolan-3-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 104838235
[2-(1,1-dioxothiolan-3-yl)-5-methyl-1H-imidazol-4-yl]methanamine
CID 115037326

Frequently Asked Questions

What is the IUPAC name of [2-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazol-5-yl]methanamine (CID 115337336) is [2-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazol-5-yl]methanamine is Cc1nc(C2CCS(=O)(=O)C2)sc1CN.
What is the InChIKey of [2-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is OLCLTILFFGKGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S2/c1-6-8(4-10)14-9(11-6)7-2-3-15(12,13)5-7/h7H,2-5,10H2,1H3.
What are the key properties of [2-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazol-5-yl]methanamine?
[2-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazol-5-yl]methanamine has a molecular weight of 246.36 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 115337336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).