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

C9H14N2O2S2 — CID 115088665

IUPAC[2-[(1,1-dioxothiolan-2-yl)methyl]-1,3-thiazol-4-yl]methanamine
SMILESNCc1csc(CC2CCCS2(=O)=O)n1
InChIInChI=1S/C9H14N2O2S2/c10-5-7-6-14-9(11-7)4-8-2-1-3-15(8,12)13/h6,8H,1-5,10H2
InChIKeyUYMXGLHGBXQSNC-UHFFFAOYSA-N
MW246.36 g/mol
LogP0.72
Rot. Bonds3

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

[2-[(1,1-dioxothiolan-2-yl)methyl]-1,3-thiazol-4-yl]methanamine (PubChem CID 115088665) has the molecular formula C9H14N2O2S2 and a molecular weight of 246.36 g/mol. Its IUPAC name is [2-[(1,1-dioxothiolan-2-yl)methyl]-1,3-thiazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-[(1,1-dioxothiolan-2-yl)methyl]-1,3-thiazol-4-yl]methanamine
PubChem CID115088665
Molecular FormulaC9H14N2O2S2
Molecular Weight246.36 g/mol
Exact Mass246.05
IUPAC Name[2-[(1,1-dioxothiolan-2-yl)methyl]-1,3-thiazol-4-yl]methanamine
SMILESNCc1csc(CC2CCCS2(=O)=O)n1
InChIInChI=1S/C9H14N2O2S2/c10-5-7-6-14-9(11-7)4-8-2-1-3-15(8,12)13/h6,8H,1-5,10H2
InChIKeyUYMXGLHGBXQSNC-UHFFFAOYSA-N
XLogP0.72
TPSA73.05 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 ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[(1,1-dioxothiolan-2-yl)methyl]-1,3-thiazol-4-yl]propanoic acid
CID 115088740
1-[2-[(1,1-dioxothian-2-yl)methyl]-1,3-thiazol-4-yl]-N-methylpropan-2-amine
CID 115088841
1-[2-[(1,1-dioxothian-2-yl)methyl]-1,3-thiazol-4-yl]ethanamine
CID 115088812
[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]methanamine
CID 115088124
2-[2-(1,1-dioxothiolan-2-yl)-1,3-thiazol-4-yl]ethanamine
CID 115088417
[2-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-4-yl]methanamine
CID 115088816
2-[2-[(1,1-dioxothiolan-2-yl)methyl]-1,3-thiazol-5-yl]acetaldehyde
CID 115090786
(1,1-dioxothiolan-2-yl)methanamine
CID 55289628
3-[2-[(1,1-dioxothiolan-2-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine
CID 115083160
[2-[(1,1-dioxothiolan-3-yl)methyl]-1,3-thiazol-4-yl]methanol
CID 115087903
[2-(cyclohexylsulfanylmethyl)-1,3-thiazol-4-yl]methanamine
CID 65144067
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-(1,1-dioxothiolan-2-yl)methanamine
CID 81038989

Frequently Asked Questions

What is the IUPAC name of [2-[(1,1-dioxothiolan-2-yl)methyl]-1,3-thiazol-4-yl]methanamine?
The IUPAC name of [2-[(1,1-dioxothiolan-2-yl)methyl]-1,3-thiazol-4-yl]methanamine (CID 115088665) is [2-[(1,1-dioxothiolan-2-yl)methyl]-1,3-thiazol-4-yl]methanamine.
What is the SMILES notation for [2-[(1,1-dioxothiolan-2-yl)methyl]-1,3-thiazol-4-yl]methanamine?
The canonical SMILES for [2-[(1,1-dioxothiolan-2-yl)methyl]-1,3-thiazol-4-yl]methanamine is NCc1csc(CC2CCCS2(=O)=O)n1.
What is the InChIKey of [2-[(1,1-dioxothiolan-2-yl)methyl]-1,3-thiazol-4-yl]methanamine?
The InChIKey is UYMXGLHGBXQSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S2/c10-5-7-6-14-9(11-7)4-8-2-1-3-15(8,12)13/h6,8H,1-5,10H2.
What are the key properties of [2-[(1,1-dioxothiolan-2-yl)methyl]-1,3-thiazol-4-yl]methanamine?
[2-[(1,1-dioxothiolan-2-yl)methyl]-1,3-thiazol-4-yl]methanamine has a molecular weight of 246.36 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1,1-dioxothiolan-2-yl)methyl]-1,3-thiazol-4-yl]methanamine is sourced from PubChem (CID 115088665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).