3-(5-benzyl-1,3-thiazol-2-yl)-1-methyl-1-[[(2S)-oxolan-2-yl]methyl]urea

C17H21N3O2S — CID 99822561

IUPAC3-(5-benzyl-1,3-thiazol-2-yl)-1-methyl-1-[[(2S)-oxolan-2-yl]methyl]urea
SMILESCN(C[C@@H]1CCCO1)C(=O)Nc1ncc(Cc2ccccc2)s1
InChIInChI=1S/C17H21N3O2S/c1-20(12-14-8-5-9-22-14)17(21)19-16-18-11-15(23-16)10-13-6-3-2-4-7-13/h2-4,6-7,11,14H,5,8-10,12H2,1H3,(H,18,19,21)/t14-/m0/s1
InChIKeyRWUCMNDAZYVPCE-AWEZNQCLSA-N
MW331.44 g/mol
LogP3.38
Rot. Bonds5

About 3-(5-benzyl-1,3-thiazol-2-yl)-1-methyl-1-[[(2S)-oxolan-2-yl]methyl]urea

3-(5-benzyl-1,3-thiazol-2-yl)-1-methyl-1-[[(2S)-oxolan-2-yl]methyl]urea (PubChem CID 99822561) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 3-(5-benzyl-1,3-thiazol-2-yl)-1-methyl-1-[[(2S)-oxolan-2-yl]methyl]urea.

Molecular Properties

Compound Name3-(5-benzyl-1,3-thiazol-2-yl)-1-methyl-1-[[(2S)-oxolan-2-yl]methyl]urea
PubChem CID99822561
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name3-(5-benzyl-1,3-thiazol-2-yl)-1-methyl-1-[[(2S)-oxolan-2-yl]methyl]urea
SMILESCN(C[C@@H]1CCCO1)C(=O)Nc1ncc(Cc2ccccc2)s1
InChIInChI=1S/C17H21N3O2S/c1-20(12-14-8-5-9-22-14)17(21)19-16-18-11-15(23-16)10-13-6-3-2-4-7-13/h2-4,6-7,11,14H,5,8-10,12H2,1H3,(H,18,19,21)/t14-/m0/s1
InChIKeyRWUCMNDAZYVPCE-AWEZNQCLSA-N
XLogP3.38
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(5-benzyl-1,3-thiazol-2-yl)-1-methyl-1-[[(2S)-oxolan-2-yl]methyl]urea with MolForge

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Related Compounds

1-(5-benzyl-1,3-thiazol-2-yl)-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 99837165
3-[5-[(3,5-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-methyl-1-(oxolan-2-ylmethyl)urea
CID 166568182
(2R)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 675301
1-methyl-1-[[(2R)-oxolan-2-yl]methyl]-3-[(2R)-1,1,1-trifluoro-3-phenylpropan-2-yl]urea
CID 97061185
1-benzyl-1-[[(2S)-oxolan-2-yl]methyl]-3-(1,3-thiazol-2-yl)urea
CID 94503654
1,3-dimethyl-1-(oxolan-2-ylmethyl)urea
CID 115590472
1-acetyl-N-(5-benzyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 18130138
5-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63158181
N,N-dimethyl-2-[2-[[methyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]acetamide
CID 95258985
3-[5-[(benzylamino)methyl]-1,3-thiazol-2-yl]-1,1-dicyclohexylurea
CID 141119437
1-benzyl-1-[[(2S)-oxolan-2-yl]methyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 94503656
methyl 3-[[2-[[(2R)-oxolane-2-carbonyl]amino]-1,3-thiazol-5-yl]methyl]benzoate
CID 95279728

Frequently Asked Questions

What is the IUPAC name of 3-(5-benzyl-1,3-thiazol-2-yl)-1-methyl-1-[[(2S)-oxolan-2-yl]methyl]urea?
The IUPAC name of 3-(5-benzyl-1,3-thiazol-2-yl)-1-methyl-1-[[(2S)-oxolan-2-yl]methyl]urea (CID 99822561) is 3-(5-benzyl-1,3-thiazol-2-yl)-1-methyl-1-[[(2S)-oxolan-2-yl]methyl]urea.
What is the SMILES notation for 3-(5-benzyl-1,3-thiazol-2-yl)-1-methyl-1-[[(2S)-oxolan-2-yl]methyl]urea?
The canonical SMILES for 3-(5-benzyl-1,3-thiazol-2-yl)-1-methyl-1-[[(2S)-oxolan-2-yl]methyl]urea is CN(C[C@@H]1CCCO1)C(=O)Nc1ncc(Cc2ccccc2)s1.
What is the InChIKey of 3-(5-benzyl-1,3-thiazol-2-yl)-1-methyl-1-[[(2S)-oxolan-2-yl]methyl]urea?
The InChIKey is RWUCMNDAZYVPCE-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-20(12-14-8-5-9-22-14)17(21)19-16-18-11-15(23-16)10-13-6-3-2-4-7-13/h2-4,6-7,11,14H,5,8-10,12H2,1H3,(H,18,19,21)/t14-/m0/s1.
What are the key properties of 3-(5-benzyl-1,3-thiazol-2-yl)-1-methyl-1-[[(2S)-oxolan-2-yl]methyl]urea?
3-(5-benzyl-1,3-thiazol-2-yl)-1-methyl-1-[[(2S)-oxolan-2-yl]methyl]urea has a molecular weight of 331.44 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-benzyl-1,3-thiazol-2-yl)-1-methyl-1-[[(2S)-oxolan-2-yl]methyl]urea is sourced from PubChem (CID 99822561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).