2-(4-bromophenyl)sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide

C17H12BrFN2OS2 — CID 1479333

IUPAC2-(4-bromophenyl)sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(CSc1ccc(Br)cc1)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C17H12BrFN2OS2/c18-12-3-7-14(8-4-12)23-10-16(22)21-17-20-15(9-24-17)11-1-5-13(19)6-2-11/h1-9H,10H2,(H,20,21,22)
InChIKeyKKVVQQZKUZRXRG-UHFFFAOYSA-N
MW423.33 g/mol
LogP5.44
Rot. Bonds5

About 2-(4-bromophenyl)sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide

2-(4-bromophenyl)sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 1479333) has the molecular formula C17H12BrFN2OS2 and a molecular weight of 423.33 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID1479333
Molecular FormulaC17H12BrFN2OS2
Molecular Weight423.33 g/mol
Exact Mass421.96
IUPAC Name2-(4-bromophenyl)sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(CSc1ccc(Br)cc1)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C17H12BrFN2OS2/c18-12-3-7-14(8-4-12)23-10-16(22)21-17-20-15(9-24-17)11-1-5-13(19)6-2-11/h1-9H,10H2,(H,20,21,22)
InChIKeyKKVVQQZKUZRXRG-UHFFFAOYSA-N
XLogP5.44
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.33
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide (CID 1479333) is 2-(4-bromophenyl)sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide is O=C(CSc1ccc(Br)cc1)Nc1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is KKVVQQZKUZRXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrFN2OS2/c18-12-3-7-14(8-4-12)23-10-16(22)21-17-20-15(9-24-17)11-1-5-13(19)6-2-11/h1-9H,10H2,(H,20,21,22).
What are the key properties of 2-(4-bromophenyl)sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
2-(4-bromophenyl)sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 423.33 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 1479333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).