1-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-3-phenylurea

C22H17N3O2S — CID 1044223

IUPAC1-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1
InChIInChI=1S/C22H17N3O2S/c26-21(23-17-7-3-1-4-8-17)25-22-24-20(15-28-22)16-11-13-19(14-12-16)27-18-9-5-2-6-10-18/h1-15H,(H2,23,24,25,26)
InChIKeyWSGXJSQUDUWVJE-UHFFFAOYSA-N
MW387.46 g/mol
LogP6.25
Rot. Bonds5

About 1-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-3-phenylurea

1-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-3-phenylurea (PubChem CID 1044223) has the molecular formula C22H17N3O2S and a molecular weight of 387.46 g/mol. Its IUPAC name is 1-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-3-phenylurea
PubChem CID1044223
Molecular FormulaC22H17N3O2S
Molecular Weight387.46 g/mol
Exact Mass387.10
IUPAC Name1-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1
InChIInChI=1S/C22H17N3O2S/c26-21(23-17-7-3-1-4-8-17)25-22-24-20(15-28-22)16-11-13-19(14-12-16)27-18-9-5-2-6-10-18/h1-15H,(H2,23,24,25,26)
InChIKeyWSGXJSQUDUWVJE-UHFFFAOYSA-N
XLogP6.25
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.46
LogP ≤ 56.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea
CID 4274968
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
2-phenoxy-N-[4-[2-[(2-phenoxybenzoyl)amino]-1,3-thiazol-4-yl]phenyl]benzamide
CID 4138513
2-methoxy-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 4530772
N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 4111369
1-(3-methoxyphenyl)-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]urea
CID 4519858
N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 87406747
N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 8718079
1-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)urea
CID 121080622
N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
CID 4286207
1-(3,4-dichlorophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea
CID 978585
2-phenoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 9111057

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-3-phenylurea?
The IUPAC name of 1-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-3-phenylurea (CID 1044223) is 1-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-3-phenylurea.
What is the SMILES notation for 1-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-3-phenylurea?
The canonical SMILES for 1-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-3-phenylurea is O=C(Nc1ccccc1)Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1.
What is the InChIKey of 1-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-3-phenylurea?
The InChIKey is WSGXJSQUDUWVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2S/c26-21(23-17-7-3-1-4-8-17)25-22-24-20(15-28-22)16-11-13-19(14-12-16)27-18-9-5-2-6-10-18/h1-15H,(H2,23,24,25,26).
What are the key properties of 1-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-3-phenylurea?
1-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-3-phenylurea has a molecular weight of 387.46 g/mol, XLogP of 6.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-3-phenylurea is sourced from PubChem (CID 1044223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).