4-(3-bromophenyl)-2-(4-ethyl-3-pyridinyl)-1,3-thiazole

C16H13BrN2S — CID 91360116

IUPAC4-(3-bromophenyl)-2-(4-ethyl-3-pyridinyl)-1,3-thiazole
SMILESCCc1ccncc1-c1nc(-c2cccc(Br)c2)cs1
InChIInChI=1S/C16H13BrN2S/c1-2-11-6-7-18-9-14(11)16-19-15(10-20-16)12-4-3-5-13(17)8-12/h3-10H,2H2,1H3
InChIKeyDWGLYJLHGPDDDH-UHFFFAOYSA-N
MW345.27 g/mol
LogP5.20
Rot. Bonds3

About 4-(3-bromophenyl)-2-(4-ethyl-3-pyridinyl)-1,3-thiazole

4-(3-bromophenyl)-2-(4-ethyl-3-pyridinyl)-1,3-thiazole (PubChem CID 91360116) has the molecular formula C16H13BrN2S and a molecular weight of 345.27 g/mol. Its IUPAC name is 4-(3-bromophenyl)-2-(4-ethyl-3-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(3-bromophenyl)-2-(4-ethyl-3-pyridinyl)-1,3-thiazole
PubChem CID91360116
Molecular FormulaC16H13BrN2S
Molecular Weight345.27 g/mol
Exact Mass344.00
IUPAC Name4-(3-bromophenyl)-2-(4-ethyl-3-pyridinyl)-1,3-thiazole
SMILESCCc1ccncc1-c1nc(-c2cccc(Br)c2)cs1
InChIInChI=1S/C16H13BrN2S/c1-2-11-6-7-18-9-14(11)16-19-15(10-20-16)12-4-3-5-13(17)8-12/h3-10H,2H2,1H3
InChIKeyDWGLYJLHGPDDDH-UHFFFAOYSA-N
XLogP5.20
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.27
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethyl-3-pyridinyl)-4-(4-methylphenyl)-1,3-thiazole
CID 86217272
3-[4-(4-ethyl-3-pyridinyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 22049774
4-(3-bromophenyl)-2-(2-methylphenyl)-1,3-thiazole
CID 78908720
4-(3-bromophenyl)-2-(3-methylphenyl)-1,3-thiazole
CID 78913074
4-(3-bromophenyl)-3-ethylpyridine
CID 118884339
4-(3-bromophenyl)-2-(4-bromophenyl)-1,3-thiazole
CID 78907524
4-(3-bromophenyl)-2-[5-(3-bromophenyl)-1,3-thiazol-2-yl]-1,3-thiazole
CID 51045264
4-(3-bromophenyl)-2-(2-methylfuran-3-yl)-1,3-thiazole
CID 113453495
2-(3-bromophenyl)-4-(1-methylpyrazol-4-yl)-1,3-thiazole
CID 79004047
4-(3-bromophenyl)-2-(5-bromothiophen-2-yl)-1,3-thiazole
CID 79838979
4-(3-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 78907532
4-(2-fluorophenyl)-2-(4-propyl-3-pyridinyl)-1,3-thiazole
CID 90958489

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-2-(4-ethyl-3-pyridinyl)-1,3-thiazole?
The IUPAC name of 4-(3-bromophenyl)-2-(4-ethyl-3-pyridinyl)-1,3-thiazole (CID 91360116) is 4-(3-bromophenyl)-2-(4-ethyl-3-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 4-(3-bromophenyl)-2-(4-ethyl-3-pyridinyl)-1,3-thiazole?
The canonical SMILES for 4-(3-bromophenyl)-2-(4-ethyl-3-pyridinyl)-1,3-thiazole is CCc1ccncc1-c1nc(-c2cccc(Br)c2)cs1.
What is the InChIKey of 4-(3-bromophenyl)-2-(4-ethyl-3-pyridinyl)-1,3-thiazole?
The InChIKey is DWGLYJLHGPDDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2S/c1-2-11-6-7-18-9-14(11)16-19-15(10-20-16)12-4-3-5-13(17)8-12/h3-10H,2H2,1H3.
What are the key properties of 4-(3-bromophenyl)-2-(4-ethyl-3-pyridinyl)-1,3-thiazole?
4-(3-bromophenyl)-2-(4-ethyl-3-pyridinyl)-1,3-thiazole has a molecular weight of 345.27 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-2-(4-ethyl-3-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 91360116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).