1-[[3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-3-phenylurea

C19H15BrN4OS — CID 118716435

IUPAC1-[[3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-3-phenylurea
SMILESO=C(NCc1cnc2scc(-c3ccc(Br)cc3)n12)Nc1ccccc1
InChIInChI=1S/C19H15BrN4OS/c20-14-8-6-13(7-9-14)17-12-26-19-22-11-16(24(17)19)10-21-18(25)23-15-4-2-1-3-5-15/h1-9,11-12H,10H2,(H2,21,23,25)
InChIKeyBGYWRWGZLMXROB-UHFFFAOYSA-N
MW427.33 g/mol
LogP5.15
Rot. Bonds4

About 1-[[3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-3-phenylurea

1-[[3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-3-phenylurea (PubChem CID 118716435) has the molecular formula C19H15BrN4OS and a molecular weight of 427.33 g/mol. Its IUPAC name is 1-[[3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-3-phenylurea.

Molecular Properties

Compound Name1-[[3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-3-phenylurea
PubChem CID118716435
Molecular FormulaC19H15BrN4OS
Molecular Weight427.33 g/mol
Exact Mass426.01
IUPAC Name1-[[3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-3-phenylurea
SMILESO=C(NCc1cnc2scc(-c3ccc(Br)cc3)n12)Nc1ccccc1
InChIInChI=1S/C19H15BrN4OS/c20-14-8-6-13(7-9-14)17-12-26-19-22-11-16(24(17)19)10-21-18(25)23-15-4-2-1-3-5-15/h1-9,11-12H,10H2,(H2,21,23,25)
InChIKeyBGYWRWGZLMXROB-UHFFFAOYSA-N
XLogP5.15
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.33
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-3-phenylurea?
The IUPAC name of 1-[[3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-3-phenylurea (CID 118716435) is 1-[[3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-3-phenylurea.
What is the SMILES notation for 1-[[3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-3-phenylurea?
The canonical SMILES for 1-[[3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-3-phenylurea is O=C(NCc1cnc2scc(-c3ccc(Br)cc3)n12)Nc1ccccc1.
What is the InChIKey of 1-[[3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-3-phenylurea?
The InChIKey is BGYWRWGZLMXROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN4OS/c20-14-8-6-13(7-9-14)17-12-26-19-22-11-16(24(17)19)10-21-18(25)23-15-4-2-1-3-5-15/h1-9,11-12H,10H2,(H2,21,23,25).
What are the key properties of 1-[[3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-3-phenylurea?
1-[[3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-3-phenylurea has a molecular weight of 427.33 g/mol, XLogP of 5.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-3-phenylurea is sourced from PubChem (CID 118716435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).