1-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1,3,3-trimethylurea

C11H19N3O2S — CID 99775487

IUPAC1-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1,3,3-trimethylurea
SMILESCO[C@@H](C)c1nc(CN(C)C(=O)N(C)C)cs1
InChIInChI=1S/C11H19N3O2S/c1-8(16-5)10-12-9(7-17-10)6-14(4)11(15)13(2)3/h7-8H,6H2,1-5H3/t8-/m0/s1
InChIKeyWCKIPIQWHIEQIO-QMMMGPOBSA-N
MW257.36 g/mol
LogP1.96
Rot. Bonds4

About 1-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1,3,3-trimethylurea

1-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1,3,3-trimethylurea (PubChem CID 99775487) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1,3,3-trimethylurea.

Molecular Properties

Compound Name1-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1,3,3-trimethylurea
PubChem CID99775487
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name1-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1,3,3-trimethylurea
SMILESCO[C@@H](C)c1nc(CN(C)C(=O)N(C)C)cs1
InChIInChI=1S/C11H19N3O2S/c1-8(16-5)10-12-9(7-17-10)6-14(4)11(15)13(2)3/h7-8H,6H2,1-5H3/t8-/m0/s1
InChIKeyWCKIPIQWHIEQIO-QMMMGPOBSA-N
XLogP1.96
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,1,3,5-tetramethylpyrazole-4-carboxamide
CID 71976740
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,2,6-trimethylpiperidine-1-carboxamide
CID 75442605
N-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 96529611
1-cyano-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylcyclopentane-1-carboxamide
CID 71976741
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpropane-1-sulfonamide
CID 71981126
4-ethyl-2-(1-methoxyethyl)-1,3-thiazole
CID 115680000
N-[2-[[N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,N'-dimethylcarbamimidoyl]amino]ethyl]benzamide
CID 109455424
3-(2-ethylsulfonylethyl)-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,2-dimethylguanidine;hydroiodide
CID 109454597
1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-3-(3-methoxypropyl)-1,2-dimethylguanidine
CID 109456082
3-ethyl-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methyl-2-propylguanidine
CID 109456260
N-butan-2-yl-3-[[N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,N'-dimethylcarbamimidoyl]amino]propanamide;hydroiodide
CID 109454557
3-[[ethylamino-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl-methylamino]methylidene]amino]-2,2-dimethylpropanamide
CID 109455548

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1,3,3-trimethylurea?
The IUPAC name of 1-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1,3,3-trimethylurea (CID 99775487) is 1-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1,3,3-trimethylurea.
What is the SMILES notation for 1-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1,3,3-trimethylurea?
The canonical SMILES for 1-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1,3,3-trimethylurea is CO[C@@H](C)c1nc(CN(C)C(=O)N(C)C)cs1.
What is the InChIKey of 1-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1,3,3-trimethylurea?
The InChIKey is WCKIPIQWHIEQIO-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-8(16-5)10-12-9(7-17-10)6-14(4)11(15)13(2)3/h7-8H,6H2,1-5H3/t8-/m0/s1.
What are the key properties of 1-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1,3,3-trimethylurea?
1-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1,3,3-trimethylurea has a molecular weight of 257.36 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1,3,3-trimethylurea is sourced from PubChem (CID 99775487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).