N-[(1,1-dioxothiolan-2-yl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine

C9H16N2O2S2 — CID 81040602

IUPACN-[(1,1-dioxothiolan-2-yl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(NCC2CCCS2(=O)=O)S1
InChIInChI=1S/C9H16N2O2S2/c1-7-5-10-9(14-7)11-6-8-3-2-4-15(8,12)13/h7-8H,2-6H2,1H3,(H,10,11)
InChIKeyDMFZOPHNPUXFOG-UHFFFAOYSA-N
MW248.37 g/mol
LogP0.64
Rot. Bonds2

About N-[(1,1-dioxothiolan-2-yl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine

N-[(1,1-dioxothiolan-2-yl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 81040602) has the molecular formula C9H16N2O2S2 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-2-yl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-2-yl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID81040602
Molecular FormulaC9H16N2O2S2
Molecular Weight248.37 g/mol
Exact Mass248.07
IUPAC NameN-[(1,1-dioxothiolan-2-yl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(NCC2CCCS2(=O)=O)S1
InChIInChI=1S/C9H16N2O2S2/c1-7-5-10-9(14-7)11-6-8-3-2-4-15(8,12)13/h7-8H,2-6H2,1H3,(H,10,11)
InChIKeyDMFZOPHNPUXFOG-UHFFFAOYSA-N
XLogP0.64
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-2-yl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[(1,1-dioxothiolan-2-yl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (CID 81040602) is N-[(1,1-dioxothiolan-2-yl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(1,1-dioxothiolan-2-yl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[(1,1-dioxothiolan-2-yl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is CC1CN=C(NCC2CCCS2(=O)=O)S1.
What is the InChIKey of N-[(1,1-dioxothiolan-2-yl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is DMFZOPHNPUXFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S2/c1-7-5-10-9(14-7)11-6-8-3-2-4-15(8,12)13/h7-8H,2-6H2,1H3,(H,10,11).
What are the key properties of N-[(1,1-dioxothiolan-2-yl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
N-[(1,1-dioxothiolan-2-yl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 248.37 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-2-yl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 81040602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).