1-[2-(1,1-dioxothiolan-2-yl)-1,3-thiazol-4-yl]-N-methylmethanamine

C9H14N2O2S2 — CID 115088406

IUPAC1-[2-(1,1-dioxothiolan-2-yl)-1,3-thiazol-4-yl]-N-methylmethanamine
SMILESCNCc1csc(C2CCCS2(=O)=O)n1
InChIInChI=1S/C9H14N2O2S2/c1-10-5-7-6-14-9(11-7)8-3-2-4-15(8,12)13/h6,8,10H,2-5H2,1H3
InChIKeyBPSHAHATRUOSPA-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.11
Rot. Bonds3

About 1-[2-(1,1-dioxothiolan-2-yl)-1,3-thiazol-4-yl]-N-methylmethanamine

1-[2-(1,1-dioxothiolan-2-yl)-1,3-thiazol-4-yl]-N-methylmethanamine (PubChem CID 115088406) has the molecular formula C9H14N2O2S2 and a molecular weight of 246.36 g/mol. Its IUPAC name is 1-[2-(1,1-dioxothiolan-2-yl)-1,3-thiazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(1,1-dioxothiolan-2-yl)-1,3-thiazol-4-yl]-N-methylmethanamine
PubChem CID115088406
Molecular FormulaC9H14N2O2S2
Molecular Weight246.36 g/mol
Exact Mass246.05
IUPAC Name1-[2-(1,1-dioxothiolan-2-yl)-1,3-thiazol-4-yl]-N-methylmethanamine
SMILESCNCc1csc(C2CCCS2(=O)=O)n1
InChIInChI=1S/C9H14N2O2S2/c1-10-5-7-6-14-9(11-7)8-3-2-4-15(8,12)13/h6,8,10H,2-5H2,1H3
InChIKeyBPSHAHATRUOSPA-UHFFFAOYSA-N
XLogP1.11
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(1,1-dioxothian-2-yl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine
CID 115088576
2-[2-(1,1-dioxothiolan-2-yl)-1,3-thiazol-4-yl]acetaldehyde
CID 115088374
2-[2-(1,1-dioxothiolan-2-yl)-1,3-thiazol-4-yl]ethanamine
CID 115088417
1-[2-(1,1-dioxothian-2-yl)-1,3-thiazol-4-yl]propan-2-ol
CID 115088486
1-(2-cyclohexyl-1,3-thiazol-4-yl)-N-methylmethanamine
CID 61280857
1-[2-(1,1-dioxothiolan-2-yl)-1,3-thiazol-4-yl]ethanone
CID 115088350
1-[2-[(1,1-dioxothian-4-yl)methyl]-1,3-thiazol-4-yl]-N-methylmethanamine
CID 115088136
1-[2-[(1,1-dioxothiolan-3-yl)methyl]-1,3-thiazol-4-yl]-N-methylmethanamine
CID 115087981
1-[2-(1,4-dithian-2-yl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 79966841
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine;hydrate;dihydrochloride
CID 74892089
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 61281051
2-[2-(1,1-dioxothian-3-yl)-1,3-thiazol-4-yl]acetaldehyde
CID 115088243

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,1-dioxothiolan-2-yl)-1,3-thiazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(1,1-dioxothiolan-2-yl)-1,3-thiazol-4-yl]-N-methylmethanamine (CID 115088406) is 1-[2-(1,1-dioxothiolan-2-yl)-1,3-thiazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(1,1-dioxothiolan-2-yl)-1,3-thiazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(1,1-dioxothiolan-2-yl)-1,3-thiazol-4-yl]-N-methylmethanamine is CNCc1csc(C2CCCS2(=O)=O)n1.
What is the InChIKey of 1-[2-(1,1-dioxothiolan-2-yl)-1,3-thiazol-4-yl]-N-methylmethanamine?
The InChIKey is BPSHAHATRUOSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S2/c1-10-5-7-6-14-9(11-7)8-3-2-4-15(8,12)13/h6,8,10H,2-5H2,1H3.
What are the key properties of 1-[2-(1,1-dioxothiolan-2-yl)-1,3-thiazol-4-yl]-N-methylmethanamine?
1-[2-(1,1-dioxothiolan-2-yl)-1,3-thiazol-4-yl]-N-methylmethanamine has a molecular weight of 246.36 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,1-dioxothiolan-2-yl)-1,3-thiazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 115088406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).