1-phenyl-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea

C22H17N3OS — CID 4274968

IUPAC1-phenyl-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea
SMILESO=C(Nc1ccccc1)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1
InChIInChI=1S/C22H17N3OS/c26-21(23-19-9-5-2-6-10-19)25-22-24-20(15-27-22)18-13-11-17(12-14-18)16-7-3-1-4-8-16/h1-15H,(H2,23,24,25,26)
InChIKeyBIBHWXIBPULHRV-UHFFFAOYSA-N
MW371.47 g/mol
LogP6.12
Rot. Bonds4

About 1-phenyl-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea

1-phenyl-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea (PubChem CID 4274968) has the molecular formula C22H17N3OS and a molecular weight of 371.47 g/mol. Its IUPAC name is 1-phenyl-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-phenyl-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea
PubChem CID4274968
Molecular FormulaC22H17N3OS
Molecular Weight371.47 g/mol
Exact Mass371.11
IUPAC Name1-phenyl-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea
SMILESO=C(Nc1ccccc1)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1
InChIInChI=1S/C22H17N3OS/c26-21(23-19-9-5-2-6-10-19)25-22-24-20(15-27-22)18-13-11-17(12-14-18)16-7-3-1-4-8-16/h1-15H,(H2,23,24,25,26)
InChIKeyBIBHWXIBPULHRV-UHFFFAOYSA-N
XLogP6.12
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.47
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
1-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-3-phenylurea
CID 1044223
1-(3,4-dichlorophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea
CID 978585
1-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)urea
CID 121080622
1-(2-bromophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea
CID 17217807
4-acetamido-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2463728
1-(2-phenylethyl)-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea
CID 121080438
1-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-phenylurea
CID 108784173
1-(4-chlorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 108780501
N-[4-[2-[(2-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]phenyl]acetamide
CID 4799137
4-chloro-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2332435
1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-phenylurea
CID 4182966

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-phenyl-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea (CID 4274968) is 1-phenyl-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-phenyl-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-phenyl-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea is O=C(Nc1ccccc1)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1.
What is the InChIKey of 1-phenyl-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea?
The InChIKey is BIBHWXIBPULHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3OS/c26-21(23-19-9-5-2-6-10-19)25-22-24-20(15-27-22)18-13-11-17(12-14-18)16-7-3-1-4-8-16/h1-15H,(H2,23,24,25,26).
What are the key properties of 1-phenyl-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea?
1-phenyl-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea has a molecular weight of 371.47 g/mol, XLogP of 6.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 4274968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).