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

C15H16ClN3O2S — CID 56822946

IUPAC1-[4-(4-chlorophenyl)oxan-4-yl]-3-(1,3-thiazol-2-yl)urea
SMILESO=C(Nc1nccs1)NC1(c2ccc(Cl)cc2)CCOCC1
InChIInChI=1S/C15H16ClN3O2S/c16-12-3-1-11(2-4-12)15(5-8-21-9-6-15)19-13(20)18-14-17-7-10-22-14/h1-4,7,10H,5-6,8-9H2,(H2,17,18,19,20)
InChIKeyRYLXZFJWMOIYMD-UHFFFAOYSA-N
MW337.83 g/mol
LogP3.62
Rot. Bonds3

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

1-[4-(4-chlorophenyl)oxan-4-yl]-3-(1,3-thiazol-2-yl)urea (PubChem CID 56822946) has the molecular formula C15H16ClN3O2S and a molecular weight of 337.83 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)oxan-4-yl]-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)oxan-4-yl]-3-(1,3-thiazol-2-yl)urea
PubChem CID56822946
Molecular FormulaC15H16ClN3O2S
Molecular Weight337.83 g/mol
Exact Mass337.07
IUPAC Name1-[4-(4-chlorophenyl)oxan-4-yl]-3-(1,3-thiazol-2-yl)urea
SMILESO=C(Nc1nccs1)NC1(c2ccc(Cl)cc2)CCOCC1
InChIInChI=1S/C15H16ClN3O2S/c16-12-3-1-11(2-4-12)15(5-8-21-9-6-15)19-13(20)18-14-17-7-10-22-14/h1-4,7,10H,5-6,8-9H2,(H2,17,18,19,20)
InChIKeyRYLXZFJWMOIYMD-UHFFFAOYSA-N
XLogP3.62
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methyloxan-4-yl)-3-(1,3-thiazol-2-yl)urea
CID 71910482
1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(1,3-thiazol-2-yl)urea
CID 97057644
1-[(1S)-1-(4-chlorophenyl)ethyl]-3-(1,3-thiazol-2-yl)urea
CID 51932156
N-[4-(4-chlorophenyl)oxan-4-yl]-2-pyrazol-1-ylpropanamide
CID 146085233
N-[4-(4-chlorophenyl)oxan-4-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 167848195
N-[1-(4-chlorophenyl)cyclopropyl]-2-morpholin-4-ylpropanamide
CID 110446378
1-[2-(4-chlorophenoxy)ethyl]-3-(1,3-thiazol-2-yl)urea
CID 47149786
N-[4-(4-chlorophenyl)oxan-4-yl]-5-methylfuran-2-carboxamide
CID 138992450
(2S)-2-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 46226333
1-[1-(4-chlorophenyl)cyclopropyl]-3-(2-methylphenyl)urea
CID 113215464
3-(4-chlorophenyl)-2,2-dimethyl-3-(4-morpholin-4-ylphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 59232573
4-(4-chlorophenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide
CID 23934454

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)oxan-4-yl]-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[4-(4-chlorophenyl)oxan-4-yl]-3-(1,3-thiazol-2-yl)urea (CID 56822946) is 1-[4-(4-chlorophenyl)oxan-4-yl]-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[4-(4-chlorophenyl)oxan-4-yl]-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[4-(4-chlorophenyl)oxan-4-yl]-3-(1,3-thiazol-2-yl)urea is O=C(Nc1nccs1)NC1(c2ccc(Cl)cc2)CCOCC1.
What is the InChIKey of 1-[4-(4-chlorophenyl)oxan-4-yl]-3-(1,3-thiazol-2-yl)urea?
The InChIKey is RYLXZFJWMOIYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2S/c16-12-3-1-11(2-4-12)15(5-8-21-9-6-15)19-13(20)18-14-17-7-10-22-14/h1-4,7,10H,5-6,8-9H2,(H2,17,18,19,20).
What are the key properties of 1-[4-(4-chlorophenyl)oxan-4-yl]-3-(1,3-thiazol-2-yl)urea?
1-[4-(4-chlorophenyl)oxan-4-yl]-3-(1,3-thiazol-2-yl)urea has a molecular weight of 337.83 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)oxan-4-yl]-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 56822946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).