2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1-(oxolan-3-yl)ethanone

C12H18N2O2S — CID 104750436

IUPAC2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1-(oxolan-3-yl)ethanone
SMILESCc1nc(CN(C)CC(=O)C2CCOC2)cs1
InChIInChI=1S/C12H18N2O2S/c1-9-13-11(8-17-9)5-14(2)6-12(15)10-3-4-16-7-10/h8,10H,3-7H2,1-2H3
InChIKeyNHLJZKWWZUNWNE-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.49
Rot. Bonds5

About 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1-(oxolan-3-yl)ethanone

2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1-(oxolan-3-yl)ethanone (PubChem CID 104750436) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1-(oxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1-(oxolan-3-yl)ethanone
PubChem CID104750436
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1-(oxolan-3-yl)ethanone
SMILESCc1nc(CN(C)CC(=O)C2CCOC2)cs1
InChIInChI=1S/C12H18N2O2S/c1-9-13-11(8-17-9)5-14(2)6-12(15)10-3-4-16-7-10/h8,10H,3-7H2,1-2H3
InChIKeyNHLJZKWWZUNWNE-UHFFFAOYSA-N
XLogP1.49
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1-(oxolan-3-yl)ethanone?
The IUPAC name of 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1-(oxolan-3-yl)ethanone (CID 104750436) is 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1-(oxolan-3-yl)ethanone.
What is the SMILES notation for 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1-(oxolan-3-yl)ethanone?
The canonical SMILES for 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1-(oxolan-3-yl)ethanone is Cc1nc(CN(C)CC(=O)C2CCOC2)cs1.
What is the InChIKey of 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1-(oxolan-3-yl)ethanone?
The InChIKey is NHLJZKWWZUNWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9-13-11(8-17-9)5-14(2)6-12(15)10-3-4-16-7-10/h8,10H,3-7H2,1-2H3.
What are the key properties of 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1-(oxolan-3-yl)ethanone?
2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1-(oxolan-3-yl)ethanone has a molecular weight of 254.35 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1-(oxolan-3-yl)ethanone is sourced from PubChem (CID 104750436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).