N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,1-dioxothian-3-amine

C11H18N2O3S — CID 63924723

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,1-dioxothian-3-amine
SMILESCc1nc(CNC2CCCS(=O)(=O)C2)oc1C
InChIInChI=1S/C11H18N2O3S/c1-8-9(2)16-11(13-8)6-12-10-4-3-5-17(14,15)7-10/h10,12H,3-7H2,1-2H3
InChIKeyGIKRGRGSOAMBSD-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.96
Rot. Bonds3

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,1-dioxothian-3-amine

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,1-dioxothian-3-amine (PubChem CID 63924723) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,1-dioxothian-3-amine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,1-dioxothian-3-amine
PubChem CID63924723
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,1-dioxothian-3-amine
SMILESCc1nc(CNC2CCCS(=O)(=O)C2)oc1C
InChIInChI=1S/C11H18N2O3S/c1-8-9(2)16-11(13-8)6-12-10-4-3-5-17(14,15)7-10/h10,12H,3-7H2,1-2H3
InChIKeyGIKRGRGSOAMBSD-UHFFFAOYSA-N
XLogP0.96
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methylazepan-4-amine
CID 106370571
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1,1-dioxothiolan-3-yl)methanamine
CID 54914546
5-[(cyclopropylamino)methyl]-N-(1,1-dioxothian-3-yl)-1,3,4-oxadiazol-2-amine
CID 106961478
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1,1-dioxothian-3-amine
CID 63922330
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,2-dimethyloxan-4-amine
CID 83033067
N-[(5-chlorofuran-2-yl)methyl]-1,1-dioxothian-3-amine
CID 63922314
ethyl 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]piperidine-1-carboxylate
CID 60972700
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1,1-dioxothian-3-amine
CID 63921924
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,1-dioxothian-3-amine
CID 63924407
1,1-dioxo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thian-3-amine
CID 79353196
N-(1H-imidazol-2-ylmethyl)-1,1-dioxothian-3-amine
CID 63922123
N-[(3,4-dimethylphenyl)methyl]-1,1-dioxothian-3-amine
CID 63924284

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,1-dioxothian-3-amine?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,1-dioxothian-3-amine (CID 63924723) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,1-dioxothian-3-amine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,1-dioxothian-3-amine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,1-dioxothian-3-amine is Cc1nc(CNC2CCCS(=O)(=O)C2)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,1-dioxothian-3-amine?
The InChIKey is GIKRGRGSOAMBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-8-9(2)16-11(13-8)6-12-10-4-3-5-17(14,15)7-10/h10,12H,3-7H2,1-2H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,1-dioxothian-3-amine?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,1-dioxothian-3-amine has a molecular weight of 258.34 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,1-dioxothian-3-amine is sourced from PubChem (CID 63924723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).