4-[[[(2S)-1,4-dioxan-2-yl]methyl-methylamino]methyl]-N-methyl-1,3-thiazol-2-amine

C11H19N3O2S — CID 124843875

IUPAC4-[[[(2S)-1,4-dioxan-2-yl]methyl-methylamino]methyl]-N-methyl-1,3-thiazol-2-amine
SMILESCNc1nc(CN(C)C[C@H]2COCCO2)cs1
InChIInChI=1S/C11H19N3O2S/c1-12-11-13-9(8-17-11)5-14(2)6-10-7-15-3-4-16-10/h8,10H,3-7H2,1-2H3,(H,12,13)/t10-/m0/s1
InChIKeyFIDWKRBPTVQVNR-JTQLQIEISA-N
MW257.36 g/mol
LogP1.03
Rot. Bonds5

About 4-[[[(2S)-1,4-dioxan-2-yl]methyl-methylamino]methyl]-N-methyl-1,3-thiazol-2-amine

4-[[[(2S)-1,4-dioxan-2-yl]methyl-methylamino]methyl]-N-methyl-1,3-thiazol-2-amine (PubChem CID 124843875) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 4-[[[(2S)-1,4-dioxan-2-yl]methyl-methylamino]methyl]-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[[[(2S)-1,4-dioxan-2-yl]methyl-methylamino]methyl]-N-methyl-1,3-thiazol-2-amine
PubChem CID124843875
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name4-[[[(2S)-1,4-dioxan-2-yl]methyl-methylamino]methyl]-N-methyl-1,3-thiazol-2-amine
SMILESCNc1nc(CN(C)C[C@H]2COCCO2)cs1
InChIInChI=1S/C11H19N3O2S/c1-12-11-13-9(8-17-11)5-14(2)6-10-7-15-3-4-16-10/h8,10H,3-7H2,1-2H3,(H,12,13)/t10-/m0/s1
InChIKeyFIDWKRBPTVQVNR-JTQLQIEISA-N
XLogP1.03
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[[(2S)-1,4-dioxan-2-yl]methyl-methylamino]methyl]-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-[[[(2S)-1,4-dioxan-2-yl]methyl-methylamino]methyl]-N-methyl-1,3-thiazol-2-amine (CID 124843875) is 4-[[[(2S)-1,4-dioxan-2-yl]methyl-methylamino]methyl]-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[[[(2S)-1,4-dioxan-2-yl]methyl-methylamino]methyl]-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[[[(2S)-1,4-dioxan-2-yl]methyl-methylamino]methyl]-N-methyl-1,3-thiazol-2-amine is CNc1nc(CN(C)C[C@H]2COCCO2)cs1.
What is the InChIKey of 4-[[[(2S)-1,4-dioxan-2-yl]methyl-methylamino]methyl]-N-methyl-1,3-thiazol-2-amine?
The InChIKey is FIDWKRBPTVQVNR-JTQLQIEISA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-12-11-13-9(8-17-11)5-14(2)6-10-7-15-3-4-16-10/h8,10H,3-7H2,1-2H3,(H,12,13)/t10-/m0/s1.
What are the key properties of 4-[[[(2S)-1,4-dioxan-2-yl]methyl-methylamino]methyl]-N-methyl-1,3-thiazol-2-amine?
4-[[[(2S)-1,4-dioxan-2-yl]methyl-methylamino]methyl]-N-methyl-1,3-thiazol-2-amine has a molecular weight of 257.36 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(2S)-1,4-dioxan-2-yl]methyl-methylamino]methyl]-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 124843875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).