4-(4-bromophenyl)-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazole

C19H17BrN2S — CID 2926693

IUPAC4-(4-bromophenyl)-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazole
SMILESBrc1ccc(-c2csc(N3CCC(c4ccccc4)C3)n2)cc1
InChIInChI=1S/C19H17BrN2S/c20-17-8-6-15(7-9-17)18-13-23-19(21-18)22-11-10-16(12-22)14-4-2-1-3-5-14/h1-9,13,16H,10-12H2
InChIKeyVVPPEWSHABGJGH-UHFFFAOYSA-N
MW385.33 g/mol
LogP5.57
Rot. Bonds3

About 4-(4-bromophenyl)-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazole

4-(4-bromophenyl)-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazole (PubChem CID 2926693) has the molecular formula C19H17BrN2S and a molecular weight of 385.33 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazole
PubChem CID2926693
Molecular FormulaC19H17BrN2S
Molecular Weight385.33 g/mol
Exact Mass384.03
IUPAC Name4-(4-bromophenyl)-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazole
SMILESBrc1ccc(-c2csc(N3CCC(c4ccccc4)C3)n2)cc1
InChIInChI=1S/C19H17BrN2S/c20-17-8-6-15(7-9-17)18-13-23-19(21-18)22-11-10-16(12-22)14-4-2-1-3-5-14/h1-9,13,16H,10-12H2
InChIKeyVVPPEWSHABGJGH-UHFFFAOYSA-N
XLogP5.57
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.33
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazole?
The IUPAC name of 4-(4-bromophenyl)-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazole (CID 2926693) is 4-(4-bromophenyl)-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-(4-bromophenyl)-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazole?
The canonical SMILES for 4-(4-bromophenyl)-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazole is Brc1ccc(-c2csc(N3CCC(c4ccccc4)C3)n2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazole?
The InChIKey is VVPPEWSHABGJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2S/c20-17-8-6-15(7-9-17)18-13-23-19(21-18)22-11-10-16(12-22)14-4-2-1-3-5-14/h1-9,13,16H,10-12H2.
What are the key properties of 4-(4-bromophenyl)-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazole?
4-(4-bromophenyl)-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazole has a molecular weight of 385.33 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazole is sourced from PubChem (CID 2926693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).