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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Related Compounds

2-[methyl(pyridin-4-ylmethyl)amino]-1-(oxolan-3-yl)ethanone
CID 104750414
1-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentan-2-one
CID 62044439
1-(2-methyl-1,3-thiazol-4-yl)-3-(oxolan-3-yl)propan-2-one
CID 103986225
N,1-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide
CID 129329069
N-benzyl-N-cyclopropyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 86855941
1-(1-benzofuran-3-yl)-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethanone
CID 62050875
2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1-(2,4,6-trimethylphenyl)ethanone
CID 62051275
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine
CID 55066273
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 86855926
4-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide
CID 66235264
2-[methyl-[2-(methylamino)ethyl]amino]-1-(oxolan-3-yl)ethanone
CID 104750828
4-[[methyl(oxan-3-ylmethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 55227227

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).