1-[[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]-3-(1,3-thiazol-2-yl)urea

C16H19N3O3S — CID 94025132

IUPAC1-[[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]-3-(1,3-thiazol-2-yl)urea
SMILESO=C(NCc1ccc(OC[C@H]2CCCO2)cc1)Nc1nccs1
InChIInChI=1S/C16H19N3O3S/c20-15(19-16-17-7-9-23-16)18-10-12-3-5-13(6-4-12)22-11-14-2-1-8-21-14/h3-7,9,14H,1-2,8,10-11H2,(H2,17,18,19,20)/t14-/m1/s1
InChIKeyQYGUVAKDTHRZSL-CQSZACIVSA-N
MW333.41 g/mol
LogP3.02
Rot. Bonds6

About 1-[[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]-3-(1,3-thiazol-2-yl)urea

1-[[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]-3-(1,3-thiazol-2-yl)urea (PubChem CID 94025132) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 1-[[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]-3-(1,3-thiazol-2-yl)urea
PubChem CID94025132
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name1-[[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]-3-(1,3-thiazol-2-yl)urea
SMILESO=C(NCc1ccc(OC[C@H]2CCCO2)cc1)Nc1nccs1
InChIInChI=1S/C16H19N3O3S/c20-15(19-16-17-7-9-23-16)18-10-12-3-5-13(6-4-12)22-11-14-2-1-8-21-14/h3-7,9,14H,1-2,8,10-11H2,(H2,17,18,19,20)/t14-/m1/s1
InChIKeyQYGUVAKDTHRZSL-CQSZACIVSA-N
XLogP3.02
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]-3-(1,3-thiazol-2-yl)urea with MolForge

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Related Compounds

1-[3-(oxolan-2-ylmethoxy)propyl]-3-(1,3-thiazol-2-yl)urea
CID 47148470
1-(2,5-dimethylpyrazol-3-yl)-3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]urea
CID 94078517
1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-[4-(oxolan-2-ylmethoxy)phenyl]urea
CID 118790558
1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-(pyrazolidin-3-ylmethyl)urea
CID 52991180
4-[[(2S)-oxolan-2-yl]methoxy]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 2161674
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-phenoxyacetamide
CID 42961546
5-chloro-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide
CID 46481831
5-methyl-N-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 94025887
1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41436663
5-bromo-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide
CID 46481868
4-[[[3-(oxolan-2-ylmethoxy)phenyl]carbamoylamino]methyl]benzoic acid
CID 122075807
N-(2-amino-2-oxoethyl)-4-[[[4-(oxolan-2-ylmethoxy)benzoyl]amino]methyl]benzamide
CID 46494621

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]-3-(1,3-thiazol-2-yl)urea (CID 94025132) is 1-[[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]-3-(1,3-thiazol-2-yl)urea is O=C(NCc1ccc(OC[C@H]2CCCO2)cc1)Nc1nccs1.
What is the InChIKey of 1-[[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]-3-(1,3-thiazol-2-yl)urea?
The InChIKey is QYGUVAKDTHRZSL-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19N3O3S/c20-15(19-16-17-7-9-23-16)18-10-12-3-5-13(6-4-12)22-11-14-2-1-8-21-14/h3-7,9,14H,1-2,8,10-11H2,(H2,17,18,19,20)/t14-/m1/s1.
What are the key properties of 1-[[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]-3-(1,3-thiazol-2-yl)urea?
1-[[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]-3-(1,3-thiazol-2-yl)urea has a molecular weight of 333.41 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 94025132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).