1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(1,3-thiazol-2-yl)urea

C14H14ClN3O2S — CID 97057644

IUPAC1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(1,3-thiazol-2-yl)urea
SMILESO=C(Nc1nccs1)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClN3O2S/c15-10-3-1-9(2-4-10)12-11(5-7-20-12)17-13(19)18-14-16-6-8-21-14/h1-4,6,8,11-12H,5,7H2,(H2,16,17,18,19)/t11-,12-/m1/s1
InChIKeyQOFADJJKBPMMAU-VXGBXAGGSA-N
MW323.81 g/mol
LogP3.45
Rot. Bonds3

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

1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(1,3-thiazol-2-yl)urea (PubChem CID 97057644) has the molecular formula C14H14ClN3O2S and a molecular weight of 323.81 g/mol. Its IUPAC name is 1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(1,3-thiazol-2-yl)urea
PubChem CID97057644
Molecular FormulaC14H14ClN3O2S
Molecular Weight323.81 g/mol
Exact Mass323.05
IUPAC Name1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(1,3-thiazol-2-yl)urea
SMILESO=C(Nc1nccs1)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClN3O2S/c15-10-3-1-9(2-4-10)12-11(5-7-20-12)17-13(19)18-14-16-6-8-21-14/h1-4,6,8,11-12H,5,7H2,(H2,16,17,18,19)/t11-,12-/m1/s1
InChIKeyQOFADJJKBPMMAU-VXGBXAGGSA-N
XLogP3.45
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.81
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-chlorophenyl)oxolan-3-yl]-3-pyridin-2-ylurea
CID 75399805
1-cyclopropyl-3-(1,3-thiazol-2-yl)urea
CID 108887577
1-[(2S,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 97128270
1-[2-(4-chlorophenyl)oxolan-3-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 75399797
(2S)-2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 100842922
1-[2-(4-chlorophenyl)oxolan-3-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 84595697
N-[2-(4-chlorophenyl)oxolan-3-yl]-2-hydroxycyclopentane-1-carboxamide
CID 110016794
N-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 100660010
1-[4-(4-chlorophenyl)oxan-4-yl]-3-(1,3-thiazol-2-yl)urea
CID 56822946
1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(2R)-oxan-2-yl]oxyurea
CID 99717936
1-[(2S,3S)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 97128571
1-[(1S)-1-(4-chlorophenyl)ethyl]-3-(1,3-thiazol-2-yl)urea
CID 51932156

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(1,3-thiazol-2-yl)urea (CID 97057644) is 1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(1,3-thiazol-2-yl)urea is O=C(Nc1nccs1)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1.
What is the InChIKey of 1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(1,3-thiazol-2-yl)urea?
The InChIKey is QOFADJJKBPMMAU-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H14ClN3O2S/c15-10-3-1-9(2-4-10)12-11(5-7-20-12)17-13(19)18-14-16-6-8-21-14/h1-4,6,8,11-12H,5,7H2,(H2,16,17,18,19)/t11-,12-/m1/s1.
What are the key properties of 1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(1,3-thiazol-2-yl)urea?
1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(1,3-thiazol-2-yl)urea has a molecular weight of 323.81 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 97057644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).