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

C16H19N3O2S — CID 99837165

IUPAC1-(5-benzyl-1,3-thiazol-2-yl)-3-[[(2S)-oxolan-2-yl]methyl]urea
SMILESO=C(NC[C@@H]1CCCO1)Nc1ncc(Cc2ccccc2)s1
InChIInChI=1S/C16H19N3O2S/c20-15(17-10-13-7-4-8-21-13)19-16-18-11-14(22-16)9-12-5-2-1-3-6-12/h1-3,5-6,11,13H,4,7-10H2,(H2,17,18,19,20)/t13-/m0/s1
InChIKeyXRTWMLGHGPGCTF-ZDUSSCGKSA-N
MW317.41 g/mol
LogP3.03
Rot. Bonds5

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

1-(5-benzyl-1,3-thiazol-2-yl)-3-[[(2S)-oxolan-2-yl]methyl]urea (PubChem CID 99837165) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-(5-benzyl-1,3-thiazol-2-yl)-3-[[(2S)-oxolan-2-yl]methyl]urea.

Molecular Properties

Compound Name1-(5-benzyl-1,3-thiazol-2-yl)-3-[[(2S)-oxolan-2-yl]methyl]urea
PubChem CID99837165
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name1-(5-benzyl-1,3-thiazol-2-yl)-3-[[(2S)-oxolan-2-yl]methyl]urea
SMILESO=C(NC[C@@H]1CCCO1)Nc1ncc(Cc2ccccc2)s1
InChIInChI=1S/C16H19N3O2S/c20-15(17-10-13-7-4-8-21-13)19-16-18-11-14(22-16)9-12-5-2-1-3-6-12/h1-3,5-6,11,13H,4,7-10H2,(H2,17,18,19,20)/t13-/m0/s1
InChIKeyXRTWMLGHGPGCTF-ZDUSSCGKSA-N
XLogP3.03
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-benzyl-1,3-thiazol-2-yl)-1-methyl-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 99822561
1-(oxolan-2-ylmethyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812547
1-(1-benzylpyrazol-3-yl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 94182642
N'-benzyl-N-(oxolan-2-ylmethyl)oxamide
CID 21211581
1-(oxolan-2-ylmethyl)-3-quinolin-3-ylurea
CID 175700632
N-(5-benzyl-1,3-thiazol-2-yl)adamantane-1-carboxamide
CID 118726195
(1R)-N-(5-benzyl-1,3-thiazol-2-yl)cyclohex-3-ene-1-carboxamide
CID 9171281
1-(2-iodophenyl)-3-(oxolan-2-ylmethyl)urea
CID 47193009
1-(2-ethylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 3764609
1-(3-methyl-2-pyridinyl)-3-(oxolan-2-ylmethyl)urea
CID 47237171
4-[(5-benzyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 27407164
N-(5-benzyl-1,3-thiazol-2-yl)-2-cyclobutyloxypyridine-4-carboxamide
CID 71906930

Frequently Asked Questions

What is the IUPAC name of 1-(5-benzyl-1,3-thiazol-2-yl)-3-[[(2S)-oxolan-2-yl]methyl]urea?
The IUPAC name of 1-(5-benzyl-1,3-thiazol-2-yl)-3-[[(2S)-oxolan-2-yl]methyl]urea (CID 99837165) is 1-(5-benzyl-1,3-thiazol-2-yl)-3-[[(2S)-oxolan-2-yl]methyl]urea.
What is the SMILES notation for 1-(5-benzyl-1,3-thiazol-2-yl)-3-[[(2S)-oxolan-2-yl]methyl]urea?
The canonical SMILES for 1-(5-benzyl-1,3-thiazol-2-yl)-3-[[(2S)-oxolan-2-yl]methyl]urea is O=C(NC[C@@H]1CCCO1)Nc1ncc(Cc2ccccc2)s1.
What is the InChIKey of 1-(5-benzyl-1,3-thiazol-2-yl)-3-[[(2S)-oxolan-2-yl]methyl]urea?
The InChIKey is XRTWMLGHGPGCTF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19N3O2S/c20-15(17-10-13-7-4-8-21-13)19-16-18-11-14(22-16)9-12-5-2-1-3-6-12/h1-3,5-6,11,13H,4,7-10H2,(H2,17,18,19,20)/t13-/m0/s1.
What are the key properties of 1-(5-benzyl-1,3-thiazol-2-yl)-3-[[(2S)-oxolan-2-yl]methyl]urea?
1-(5-benzyl-1,3-thiazol-2-yl)-3-[[(2S)-oxolan-2-yl]methyl]urea has a molecular weight of 317.41 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-benzyl-1,3-thiazol-2-yl)-3-[[(2S)-oxolan-2-yl]methyl]urea is sourced from PubChem (CID 99837165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).