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

C19H25N3O3S — CID 126429384

IUPAC1-ethyl-3-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
SMILESCCN(C[C@@H]1CCCO1)C(=O)NCc1cnc(-c2ccccc2OC)s1
InChIInChI=1S/C19H25N3O3S/c1-3-22(13-14-7-6-10-25-14)19(23)21-12-15-11-20-18(26-15)16-8-4-5-9-17(16)24-2/h4-5,8-9,11,14H,3,6-7,10,12-13H2,1-2H3,(H,21,23)/t14-/m0/s1
InChIKeyPECKHCRLNBKBMV-AWEZNQCLSA-N
MW375.49 g/mol
LogP3.53
Rot. Bonds7

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

1-ethyl-3-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea (PubChem CID 126429384) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 1-ethyl-3-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
PubChem CID126429384
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name1-ethyl-3-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
SMILESCCN(C[C@@H]1CCCO1)C(=O)NCc1cnc(-c2ccccc2OC)s1
InChIInChI=1S/C19H25N3O3S/c1-3-22(13-14-7-6-10-25-14)19(23)21-12-15-11-20-18(26-15)16-8-4-5-9-17(16)24-2/h4-5,8-9,11,14H,3,6-7,10,12-13H2,1-2H3,(H,21,23)/t14-/m0/s1
InChIKeyPECKHCRLNBKBMV-AWEZNQCLSA-N
XLogP3.53
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-N-methyl-3-[(2S)-oxolan-2-yl]propan-1-amine
CID 125166387
3-[[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid
CID 125154391
3-[[2-(difluoromethoxy)phenyl]methyl]-1-ethyl-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 95598545
1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[(2-pyrrolidin-1-ylphenyl)methyl]urea
CID 95762745
1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-(quinolin-8-ylmethyl)urea
CID 97099557
3-[3-(2-methoxyphenyl)phenyl]-1-[[(2R)-oxolan-2-yl]methyl]-1-propylurea
CID 125169984
3-[(2-methoxy-3-pyridinyl)methyl]-1,1-bis[[(2S)-oxolan-2-yl]methyl]urea
CID 94077984
1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[(2-piperidin-1-yl-3-pyridinyl)methyl]urea
CID 95762761
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 55969151
N-ethyl-5-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 104640524
N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-1-methyl-3-propylpyrazole-5-carboxamide
CID 70754165
1-ethyl-3-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 95968273

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea?
The IUPAC name of 1-ethyl-3-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea (CID 126429384) is 1-ethyl-3-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea.
What is the SMILES notation for 1-ethyl-3-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea?
The canonical SMILES for 1-ethyl-3-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea is CCN(C[C@@H]1CCCO1)C(=O)NCc1cnc(-c2ccccc2OC)s1.
What is the InChIKey of 1-ethyl-3-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea?
The InChIKey is PECKHCRLNBKBMV-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-3-22(13-14-7-6-10-25-14)19(23)21-12-15-11-20-18(26-15)16-8-4-5-9-17(16)24-2/h4-5,8-9,11,14H,3,6-7,10,12-13H2,1-2H3,(H,21,23)/t14-/m0/s1.
What are the key properties of 1-ethyl-3-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea?
1-ethyl-3-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea has a molecular weight of 375.49 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea is sourced from PubChem (CID 126429384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).