N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,1-dioxo-N-(oxolan-2-ylmethyl)thiolan-3-amine

C15H24N2O3S2 — CID 56805036

IUPACN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,1-dioxo-N-(oxolan-2-ylmethyl)thiolan-3-amine
SMILESCCc1nc(CN(CC2CCCO2)C2CCS(=O)(=O)C2)cs1
InChIInChI=1S/C15H24N2O3S2/c1-2-15-16-12(10-21-15)8-17(9-14-4-3-6-20-14)13-5-7-22(18,19)11-13/h10,13-14H,2-9,11H2,1H3
InChIKeyONFFAFOXLFPTAG-UHFFFAOYSA-N
MW344.50 g/mol
LogP1.87
Rot. Bonds6

About N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,1-dioxo-N-(oxolan-2-ylmethyl)thiolan-3-amine

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,1-dioxo-N-(oxolan-2-ylmethyl)thiolan-3-amine (PubChem CID 56805036) has the molecular formula C15H24N2O3S2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,1-dioxo-N-(oxolan-2-ylmethyl)thiolan-3-amine.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,1-dioxo-N-(oxolan-2-ylmethyl)thiolan-3-amine
PubChem CID56805036
Molecular FormulaC15H24N2O3S2
Molecular Weight344.50 g/mol
Exact Mass344.12
IUPAC NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,1-dioxo-N-(oxolan-2-ylmethyl)thiolan-3-amine
SMILESCCc1nc(CN(CC2CCCO2)C2CCS(=O)(=O)C2)cs1
InChIInChI=1S/C15H24N2O3S2/c1-2-15-16-12(10-21-15)8-17(9-14-4-3-6-20-14)13-5-7-22(18,19)11-13/h10,13-14H,2-9,11H2,1H3
InChIKeyONFFAFOXLFPTAG-UHFFFAOYSA-N
XLogP1.87
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,1-dioxo-N-(oxolan-2-ylmethyl)thiolan-3-amine?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,1-dioxo-N-(oxolan-2-ylmethyl)thiolan-3-amine (CID 56805036) is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,1-dioxo-N-(oxolan-2-ylmethyl)thiolan-3-amine.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,1-dioxo-N-(oxolan-2-ylmethyl)thiolan-3-amine?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,1-dioxo-N-(oxolan-2-ylmethyl)thiolan-3-amine is CCc1nc(CN(CC2CCCO2)C2CCS(=O)(=O)C2)cs1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,1-dioxo-N-(oxolan-2-ylmethyl)thiolan-3-amine?
The InChIKey is ONFFAFOXLFPTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S2/c1-2-15-16-12(10-21-15)8-17(9-14-4-3-6-20-14)13-5-7-22(18,19)11-13/h10,13-14H,2-9,11H2,1H3.
What are the key properties of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,1-dioxo-N-(oxolan-2-ylmethyl)thiolan-3-amine?
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,1-dioxo-N-(oxolan-2-ylmethyl)thiolan-3-amine has a molecular weight of 344.50 g/mol, XLogP of 1.87, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,1-dioxo-N-(oxolan-2-ylmethyl)thiolan-3-amine is sourced from PubChem (CID 56805036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).