3-(6-ethyl-1,3-benzothiazol-2-yl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea

C20H23N3O3S — CID 60577678

IUPAC3-(6-ethyl-1,3-benzothiazol-2-yl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea
SMILESCCc1ccc2nc(NC(=O)N(Cc3ccco3)CC3CCCO3)sc2c1
InChIInChI=1S/C20H23N3O3S/c1-2-14-7-8-17-18(11-14)27-19(21-17)22-20(24)23(12-15-5-3-9-25-15)13-16-6-4-10-26-16/h3,5,7-9,11,16H,2,4,6,10,12-13H2,1H3,(H,21,22,24)
InChIKeyXTQBTQVTJALMRU-UHFFFAOYSA-N
MW385.49 g/mol
LogP4.66
Rot. Bonds6

About 3-(6-ethyl-1,3-benzothiazol-2-yl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea

3-(6-ethyl-1,3-benzothiazol-2-yl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea (PubChem CID 60577678) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 3-(6-ethyl-1,3-benzothiazol-2-yl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name3-(6-ethyl-1,3-benzothiazol-2-yl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea
PubChem CID60577678
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name3-(6-ethyl-1,3-benzothiazol-2-yl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea
SMILESCCc1ccc2nc(NC(=O)N(Cc3ccco3)CC3CCCO3)sc2c1
InChIInChI=1S/C20H23N3O3S/c1-2-14-7-8-17-18(11-14)27-19(21-17)22-20(24)23(12-15-5-3-9-25-15)13-16-6-4-10-26-16/h3,5,7-9,11,16H,2,4,6,10,12-13H2,1H3,(H,21,22,24)
InChIKeyXTQBTQVTJALMRU-UHFFFAOYSA-N
XLogP4.66
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(6-ethyl-1,3-benzothiazol-2-yl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea with MolForge

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Related Compounds

1-(furan-2-ylmethyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 94651994
3-(3-acetylphenyl)-1-(furan-2-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 94652128
3-(4-ethylphenyl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)thiourea
CID 47510880
3-(dicyclopropylmethyl)-1-(furan-2-ylmethyl)-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 94653061
1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 773145
3-(3-chloro-4-fluorophenyl)-1-(furan-2-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 1058655
1-(furan-2-ylmethyl)-3-(4-methyl-3-nitrophenyl)-1-(oxolan-2-ylmethyl)urea
CID 60577323
3-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea
CID 42773317
3-(2,5-dibromophenyl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea
CID 60577447
1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)-3-(2-phenylphenyl)urea
CID 60577038
3-acetamido-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 86840469
1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)-3-[2-(trifluoromethoxy)phenyl]urea
CID 60577749

Frequently Asked Questions

What is the IUPAC name of 3-(6-ethyl-1,3-benzothiazol-2-yl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea?
The IUPAC name of 3-(6-ethyl-1,3-benzothiazol-2-yl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea (CID 60577678) is 3-(6-ethyl-1,3-benzothiazol-2-yl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 3-(6-ethyl-1,3-benzothiazol-2-yl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 3-(6-ethyl-1,3-benzothiazol-2-yl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea is CCc1ccc2nc(NC(=O)N(Cc3ccco3)CC3CCCO3)sc2c1.
What is the InChIKey of 3-(6-ethyl-1,3-benzothiazol-2-yl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea?
The InChIKey is XTQBTQVTJALMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-2-14-7-8-17-18(11-14)27-19(21-17)22-20(24)23(12-15-5-3-9-25-15)13-16-6-4-10-26-16/h3,5,7-9,11,16H,2,4,6,10,12-13H2,1H3,(H,21,22,24).
What are the key properties of 3-(6-ethyl-1,3-benzothiazol-2-yl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea?
3-(6-ethyl-1,3-benzothiazol-2-yl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea has a molecular weight of 385.49 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-ethyl-1,3-benzothiazol-2-yl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 60577678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).