1-[2-(1,1-dioxothiolan-3-yl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine

C11H18N2O2S2 — CID 115089834

IUPAC1-[2-(1,1-dioxothiolan-3-yl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1cnc(C2CCS(=O)(=O)C2)s1
InChIInChI=1S/C11H18N2O2S2/c1-8(12-2)5-10-6-13-11(16-10)9-3-4-17(14,15)7-9/h6,8-9,12H,3-5,7H2,1-2H3
InChIKeyRHJUICDZGJQWNG-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.20
Rot. Bonds4

About 1-[2-(1,1-dioxothiolan-3-yl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine

1-[2-(1,1-dioxothiolan-3-yl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine (PubChem CID 115089834) has the molecular formula C11H18N2O2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[2-(1,1-dioxothiolan-3-yl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[2-(1,1-dioxothiolan-3-yl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine
PubChem CID115089834
Molecular FormulaC11H18N2O2S2
Molecular Weight274.41 g/mol
Exact Mass274.08
IUPAC Name1-[2-(1,1-dioxothiolan-3-yl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1cnc(C2CCS(=O)(=O)C2)s1
InChIInChI=1S/C11H18N2O2S2/c1-8(12-2)5-10-6-13-11(16-10)9-3-4-17(14,15)7-9/h6,8-9,12H,3-5,7H2,1-2H3
InChIKeyRHJUICDZGJQWNG-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine
CID 115089845
N-methyl-1-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]propan-2-amine
CID 115089837
2-[2-(1,1-dioxothian-4-yl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 115089963
1-[2-(1,1-dioxothian-4-yl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 115089949
N-methyl-1-[2-(thian-2-yl)-1,3-thiazol-5-yl]propan-2-amine
CID 115090699
1-[2-(1,1-dioxothian-3-yl)-1,3-thiazol-5-yl]ethanol
CID 115090326
1-[2-(1,1-dioxothian-3-yl)-1,3-thiazol-5-yl]ethanamine
CID 115090388
1-[2-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 115337095
N-methyl-1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]propan-2-amine
CID 115090839
1-[2-[(1,1-dioxothiolan-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine
CID 115090109
1-[2-(1,1-dioxothiolan-3-yl)-1,3-oxazol-5-yl]ethanamine
CID 115084978
1-[2-(1,1-dioxothian-2-yl)-1,3-thiazol-5-yl]propan-2-amine
CID 115090694

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,1-dioxothiolan-3-yl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[2-(1,1-dioxothiolan-3-yl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine (CID 115089834) is 1-[2-(1,1-dioxothiolan-3-yl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[2-(1,1-dioxothiolan-3-yl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[2-(1,1-dioxothiolan-3-yl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine is CNC(C)Cc1cnc(C2CCS(=O)(=O)C2)s1.
What is the InChIKey of 1-[2-(1,1-dioxothiolan-3-yl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine?
The InChIKey is RHJUICDZGJQWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S2/c1-8(12-2)5-10-6-13-11(16-10)9-3-4-17(14,15)7-9/h6,8-9,12H,3-5,7H2,1-2H3.
What are the key properties of 1-[2-(1,1-dioxothiolan-3-yl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine?
1-[2-(1,1-dioxothiolan-3-yl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine has a molecular weight of 274.41 g/mol, XLogP of 1.20, 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-dioxothiolan-3-yl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 115089834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).