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

C11H18N2O2S2 — CID 115088136

IUPAC1-[2-[(1,1-dioxothian-4-yl)methyl]-1,3-thiazol-4-yl]-N-methylmethanamine
SMILESCNCc1csc(CC2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C11H18N2O2S2/c1-12-7-10-8-16-11(13-10)6-9-2-4-17(14,15)5-3-9/h8-9,12H,2-7H2,1H3
InChIKeyXCAVDGZIYVYVFV-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.23
Rot. Bonds4

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

1-[2-[(1,1-dioxothian-4-yl)methyl]-1,3-thiazol-4-yl]-N-methylmethanamine (PubChem CID 115088136) has the molecular formula C11H18N2O2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[2-[(1,1-dioxothian-4-yl)methyl]-1,3-thiazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(1,1-dioxothian-4-yl)methyl]-1,3-thiazol-4-yl]-N-methylmethanamine
PubChem CID115088136
Molecular FormulaC11H18N2O2S2
Molecular Weight274.41 g/mol
Exact Mass274.08
IUPAC Name1-[2-[(1,1-dioxothian-4-yl)methyl]-1,3-thiazol-4-yl]-N-methylmethanamine
SMILESCNCc1csc(CC2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C11H18N2O2S2/c1-12-7-10-8-16-11(13-10)6-9-2-4-17(14,15)5-3-9/h8-9,12H,2-7H2,1H3
InChIKeyXCAVDGZIYVYVFV-UHFFFAOYSA-N
XLogP1.23
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(1,1-dioxothiolan-3-yl)methyl]-1,3-thiazol-4-yl]-N-methylmethanamine
CID 115087981
N-methyl-1-[2-(pyrrolidin-3-ylmethyl)-1,3-thiazol-4-yl]methanamine
CID 115087985
[2-[(1,1-dioxothiolan-3-yl)methyl]-1,3-thiazol-4-yl]methanol
CID 115087903
1-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]-N-methylmethanamine
CID 115087989
N-methyl-2-[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine
CID 115088156
1-[2-(fluoromethyl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 84764244
1-[2-(1,1-dioxothiolan-2-yl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 115088406
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothian-4-amine
CID 43615105
N-methyl-1-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]methanamine
CID 82193993
N-methyl-3-[2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]propan-1-amine
CID 115088029
2-(cyclopentylmethyl)-4-(methoxymethyl)-1,3-thiazole
CID 100742041
1-[2-[(1,1-dioxothian-3-yl)methyl]-1,3-thiazol-4-yl]propan-2-ol
CID 115088925

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1,1-dioxothian-4-yl)methyl]-1,3-thiazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(1,1-dioxothian-4-yl)methyl]-1,3-thiazol-4-yl]-N-methylmethanamine (CID 115088136) is 1-[2-[(1,1-dioxothian-4-yl)methyl]-1,3-thiazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(1,1-dioxothian-4-yl)methyl]-1,3-thiazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(1,1-dioxothian-4-yl)methyl]-1,3-thiazol-4-yl]-N-methylmethanamine is CNCc1csc(CC2CCS(=O)(=O)CC2)n1.
What is the InChIKey of 1-[2-[(1,1-dioxothian-4-yl)methyl]-1,3-thiazol-4-yl]-N-methylmethanamine?
The InChIKey is XCAVDGZIYVYVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S2/c1-12-7-10-8-16-11(13-10)6-9-2-4-17(14,15)5-3-9/h8-9,12H,2-7H2,1H3.
What are the key properties of 1-[2-[(1,1-dioxothian-4-yl)methyl]-1,3-thiazol-4-yl]-N-methylmethanamine?
1-[2-[(1,1-dioxothian-4-yl)methyl]-1,3-thiazol-4-yl]-N-methylmethanamine has a molecular weight of 274.41 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1,1-dioxothian-4-yl)methyl]-1,3-thiazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 115088136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).