1,1-dioxo-N-[1-(1,3-thiazol-4-yl)ethyl]thiolan-3-amine

C9H14N2O2S2 — CID 115878917

IUPAC1,1-dioxo-N-[1-(1,3-thiazol-4-yl)ethyl]thiolan-3-amine
SMILESCC(NC1CCS(=O)(=O)C1)c1cscn1
InChIInChI=1S/C9H14N2O2S2/c1-7(9-4-14-6-10-9)11-8-2-3-15(12,13)5-8/h4,6-8,11H,2-3,5H2,1H3
InChIKeyGNLYPJCLWRAORN-UHFFFAOYSA-N
MW246.36 g/mol
LogP0.98
Rot. Bonds3

About 1,1-dioxo-N-[1-(1,3-thiazol-4-yl)ethyl]thiolan-3-amine

1,1-dioxo-N-[1-(1,3-thiazol-4-yl)ethyl]thiolan-3-amine (PubChem CID 115878917) has the molecular formula C9H14N2O2S2 and a molecular weight of 246.36 g/mol. Its IUPAC name is 1,1-dioxo-N-[1-(1,3-thiazol-4-yl)ethyl]thiolan-3-amine.

Molecular Properties

Compound Name1,1-dioxo-N-[1-(1,3-thiazol-4-yl)ethyl]thiolan-3-amine
PubChem CID115878917
Molecular FormulaC9H14N2O2S2
Molecular Weight246.36 g/mol
Exact Mass246.05
IUPAC Name1,1-dioxo-N-[1-(1,3-thiazol-4-yl)ethyl]thiolan-3-amine
SMILESCC(NC1CCS(=O)(=O)C1)c1cscn1
InChIInChI=1S/C9H14N2O2S2/c1-7(9-4-14-6-10-9)11-8-2-3-15(12,13)5-8/h4,6-8,11H,2-3,5H2,1H3
InChIKeyGNLYPJCLWRAORN-UHFFFAOYSA-N
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1,3-thiazol-4-yl)ethyl]cyclopropanamine
CID 46784254
3,4-dimethyl-N-[1-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine
CID 104584851
4-ethyl-N-[1-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine
CID 115879066
1-cyclopropyl-N-[1-(1,3-thiazol-4-yl)ethyl]pyrrolidin-3-amine
CID 115879255
[4-[1-(1,3-thiazol-4-yl)ethylamino]cyclohexyl]methanol
CID 103881440
N-[1-(3,4-dichlorophenyl)ethyl]-1,1-dioxothiolan-3-amine
CID 43082206
2-[1-(1,3-thiazol-4-yl)ethylamino]cyclopentan-1-ol
CID 115891364
1,1-dioxo-N-(1-pyridin-2-ylethyl)thian-4-amine
CID 43511597
N-[(1R)-1-(furan-2-yl)ethyl]-1,1-dioxothiolan-3-amine
CID 81402788
(1S,5R)-N-[1-(1,3-thiazol-4-yl)ethyl]bicyclo[3.1.0]hexan-2-amine
CID 164651955
(3S)-N-[(1S)-1-[4-(difluoromethylsulfanyl)phenyl]ethyl]-1,1-dioxothiolan-3-amine
CID 97229340
N-[1-(4-bromothiophen-2-yl)ethyl]-1,1-dioxothian-3-amine
CID 107167577

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-[1-(1,3-thiazol-4-yl)ethyl]thiolan-3-amine?
The IUPAC name of 1,1-dioxo-N-[1-(1,3-thiazol-4-yl)ethyl]thiolan-3-amine (CID 115878917) is 1,1-dioxo-N-[1-(1,3-thiazol-4-yl)ethyl]thiolan-3-amine.
What is the SMILES notation for 1,1-dioxo-N-[1-(1,3-thiazol-4-yl)ethyl]thiolan-3-amine?
The canonical SMILES for 1,1-dioxo-N-[1-(1,3-thiazol-4-yl)ethyl]thiolan-3-amine is CC(NC1CCS(=O)(=O)C1)c1cscn1.
What is the InChIKey of 1,1-dioxo-N-[1-(1,3-thiazol-4-yl)ethyl]thiolan-3-amine?
The InChIKey is GNLYPJCLWRAORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S2/c1-7(9-4-14-6-10-9)11-8-2-3-15(12,13)5-8/h4,6-8,11H,2-3,5H2,1H3.
What are the key properties of 1,1-dioxo-N-[1-(1,3-thiazol-4-yl)ethyl]thiolan-3-amine?
1,1-dioxo-N-[1-(1,3-thiazol-4-yl)ethyl]thiolan-3-amine has a molecular weight of 246.36 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-[1-(1,3-thiazol-4-yl)ethyl]thiolan-3-amine is sourced from PubChem (CID 115878917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).