2-[4-(4-bromophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]acetic acid

C16H11BrN2O2S — CID 2363696

IUPAC2-[4-(4-bromophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(-c2cccnc2)nc1-c1ccc(Br)cc1
InChIInChI=1S/C16H11BrN2O2S/c17-12-5-3-10(4-6-12)15-13(8-14(20)21)22-16(19-15)11-2-1-7-18-9-11/h1-7,9H,8H2,(H,20,21)
InChIKeyHAGYFDNSOBXZMZ-UHFFFAOYSA-N
MW375.25 g/mol
LogP4.26
Rot. Bonds4

About 2-[4-(4-bromophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]acetic acid

2-[4-(4-bromophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]acetic acid (PubChem CID 2363696) has the molecular formula C16H11BrN2O2S and a molecular weight of 375.25 g/mol. Its IUPAC name is 2-[4-(4-bromophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-bromophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]acetic acid
PubChem CID2363696
Molecular FormulaC16H11BrN2O2S
Molecular Weight375.25 g/mol
Exact Mass373.97
IUPAC Name2-[4-(4-bromophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(-c2cccnc2)nc1-c1ccc(Br)cc1
InChIInChI=1S/C16H11BrN2O2S/c17-12-5-3-10(4-6-12)15-13(8-14(20)21)22-16(19-15)11-2-1-7-18-9-11/h1-7,9H,8H2,(H,20,21)
InChIKeyHAGYFDNSOBXZMZ-UHFFFAOYSA-N
XLogP4.26
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.25
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-(Bis(4-fluorophenyl)methyl)-4-(2-fluoropyridin-4-yl)thiazol-5-yl)acetic acid
CID 46229845
2-[4-(4-Methylphenyl)-2-(pyridin-3-yl)-1,3-thiazol-5-yl]acetic acid
CID 1955694
2-[5-(4-Methylphenyl)-2-pyridin-3-yl-1,3-thiazol-4-yl]acetic acid
CID 2384336
2-(2-(Bis(4-fluorophenyl)methyl)-4-(2-methylpyridin-4-yl)thiazol-5-yl)acetic acid
CID 16118987
2-(2-(2-Bromobenzyl)-4-(4-fluorophenyl)thiazol-5-yl)acetic acid
CID 46229761
2-(4-(4-Chlorophenyl)-2-(phenyl(pyridin-2-yl)methyl)thiazol-5-yl)acetic acid
CID 46230187
2-[4-(4-methylphenyl)-2-pyridin-2-yl-1,3-thiazol-5-yl]acetic Acid
CID 2118147
2-[5-(4-Bromophenyl)-2-pyridin-3-yl-1,3-thiazol-4-yl]acetic acid
CID 2384634
2-(4-(4-Bromophenyl)-2-(4-(dimethylamino)phenyl)thiazol-5-yl)acetic acid
CID 4151299
2-(2-(Bis(4-fluorophenyl)methyl)-4-(pyridin-3-yl)thiazol-5-yl)acetic acid
CID 46229800
2-(2-(Bis(4-fluorophenyl)methyl)-4-(pyridin-4-yl)thiazol-5-yl)acetic acid
CID 46229801
2-(2-(Bis(4-fluorophenyl)methyl)-4-(5-fluoropyridin-3-yl)thiazol-5-yl)acetic acid
CID 46229994

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[4-(4-bromophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]acetic acid (CID 2363696) is 2-[4-(4-bromophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-bromophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-(4-bromophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]acetic acid is O=C(O)Cc1sc(-c2cccnc2)nc1-c1ccc(Br)cc1.
What is the InChIKey of 2-[4-(4-bromophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]acetic acid?
The InChIKey is HAGYFDNSOBXZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2O2S/c17-12-5-3-10(4-6-12)15-13(8-14(20)21)22-16(19-15)11-2-1-7-18-9-11/h1-7,9H,8H2,(H,20,21).
What are the key properties of 2-[4-(4-bromophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]acetic acid?
2-[4-(4-bromophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]acetic acid has a molecular weight of 375.25 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 2363696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).