4-(3-bromothiophen-2-yl)-2-pyridin-4-yl-1,3-thiazole

C12H7BrN2S2 — CID 1488438

IUPAC4-(3-bromothiophen-2-yl)-2-pyridin-4-yl-1,3-thiazole
SMILESBrc1ccsc1-c1csc(-c2ccncc2)n1
InChIInChI=1S/C12H7BrN2S2/c13-9-3-6-16-11(9)10-7-17-12(15-10)8-1-4-14-5-2-8/h1-7H
InChIKeyLQGDQFAIJXKUCO-UHFFFAOYSA-N
MW323.24 g/mol
LogP4.70
Rot. Bonds2

About 4-(3-bromothiophen-2-yl)-2-pyridin-4-yl-1,3-thiazole

4-(3-bromothiophen-2-yl)-2-pyridin-4-yl-1,3-thiazole (PubChem CID 1488438) has the molecular formula C12H7BrN2S2 and a molecular weight of 323.24 g/mol. Its IUPAC name is 4-(3-bromothiophen-2-yl)-2-pyridin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(3-bromothiophen-2-yl)-2-pyridin-4-yl-1,3-thiazole
PubChem CID1488438
Molecular FormulaC12H7BrN2S2
Molecular Weight323.24 g/mol
Exact Mass321.92
IUPAC Name4-(3-bromothiophen-2-yl)-2-pyridin-4-yl-1,3-thiazole
SMILESBrc1ccsc1-c1csc(-c2ccncc2)n1
InChIInChI=1S/C12H7BrN2S2/c13-9-3-6-16-11(9)10-7-17-12(15-10)8-1-4-14-5-2-8/h1-7H
InChIKeyLQGDQFAIJXKUCO-UHFFFAOYSA-N
XLogP4.70
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.24
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromothiophen-2-yl)-2-pyridin-4-yl-1,3-thiazole?
The IUPAC name of 4-(3-bromothiophen-2-yl)-2-pyridin-4-yl-1,3-thiazole (CID 1488438) is 4-(3-bromothiophen-2-yl)-2-pyridin-4-yl-1,3-thiazole.
What is the SMILES notation for 4-(3-bromothiophen-2-yl)-2-pyridin-4-yl-1,3-thiazole?
The canonical SMILES for 4-(3-bromothiophen-2-yl)-2-pyridin-4-yl-1,3-thiazole is Brc1ccsc1-c1csc(-c2ccncc2)n1.
What is the InChIKey of 4-(3-bromothiophen-2-yl)-2-pyridin-4-yl-1,3-thiazole?
The InChIKey is LQGDQFAIJXKUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrN2S2/c13-9-3-6-16-11(9)10-7-17-12(15-10)8-1-4-14-5-2-8/h1-7H.
What are the key properties of 4-(3-bromothiophen-2-yl)-2-pyridin-4-yl-1,3-thiazole?
4-(3-bromothiophen-2-yl)-2-pyridin-4-yl-1,3-thiazole has a molecular weight of 323.24 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromothiophen-2-yl)-2-pyridin-4-yl-1,3-thiazole is sourced from PubChem (CID 1488438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).