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

C14H10BrNOS — CID 113453495

IUPAC4-(3-bromophenyl)-2-(2-methylfuran-3-yl)-1,3-thiazole
SMILESCc1occc1-c1nc(-c2cccc(Br)c2)cs1
InChIInChI=1S/C14H10BrNOS/c1-9-12(5-6-17-9)14-16-13(8-18-14)10-3-2-4-11(15)7-10/h2-8H,1H3
InChIKeyMADIBXGHVFSCQH-UHFFFAOYSA-N
MW320.21 g/mol
LogP5.14
Rot. Bonds2

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

4-(3-bromophenyl)-2-(2-methylfuran-3-yl)-1,3-thiazole (PubChem CID 113453495) has the molecular formula C14H10BrNOS and a molecular weight of 320.21 g/mol. Its IUPAC name is 4-(3-bromophenyl)-2-(2-methylfuran-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(3-bromophenyl)-2-(2-methylfuran-3-yl)-1,3-thiazole
PubChem CID113453495
Molecular FormulaC14H10BrNOS
Molecular Weight320.21 g/mol
Exact Mass318.97
IUPAC Name4-(3-bromophenyl)-2-(2-methylfuran-3-yl)-1,3-thiazole
SMILESCc1occc1-c1nc(-c2cccc(Br)c2)cs1
InChIInChI=1S/C14H10BrNOS/c1-9-12(5-6-17-9)14-16-13(8-18-14)10-3-2-4-11(15)7-10/h2-8H,1H3
InChIKeyMADIBXGHVFSCQH-UHFFFAOYSA-N
XLogP5.14
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.21
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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)-2-(4-bromophenyl)-1,3-thiazole
CID 78907524
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-(3-bromophenyl)-2-(1H-pyrrol-2-yl)-1,3-thiazole;hydrobromide
CID 137032183
4-(3-bromophenyl)-2-(4-ethyl-3-pyridinyl)-1,3-thiazole
CID 91360116
4-(3-bromophenyl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine
CID 30330546
4-(3-bromophenyl)-2-[5-(3-bromophenyl)-1,3-thiazol-2-yl]-1,3-thiazole
CID 51045264
2-(3-bromophenyl)-4-(1H-pyrrol-2-yl)-1,3-thiazole
CID 78907588
4-(3-bromophenyl)-2-[(3,5-dimethylphenyl)methyl]-1,3-thiazole
CID 79832251
2-(3-bromophenyl)-4-(1-methylpyrazol-4-yl)-1,3-thiazole
CID 79004047

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-2-(2-methylfuran-3-yl)-1,3-thiazole?
The IUPAC name of 4-(3-bromophenyl)-2-(2-methylfuran-3-yl)-1,3-thiazole (CID 113453495) is 4-(3-bromophenyl)-2-(2-methylfuran-3-yl)-1,3-thiazole.
What is the SMILES notation for 4-(3-bromophenyl)-2-(2-methylfuran-3-yl)-1,3-thiazole?
The canonical SMILES for 4-(3-bromophenyl)-2-(2-methylfuran-3-yl)-1,3-thiazole is Cc1occc1-c1nc(-c2cccc(Br)c2)cs1.
What is the InChIKey of 4-(3-bromophenyl)-2-(2-methylfuran-3-yl)-1,3-thiazole?
The InChIKey is MADIBXGHVFSCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNOS/c1-9-12(5-6-17-9)14-16-13(8-18-14)10-3-2-4-11(15)7-10/h2-8H,1H3.
What are the key properties of 4-(3-bromophenyl)-2-(2-methylfuran-3-yl)-1,3-thiazole?
4-(3-bromophenyl)-2-(2-methylfuran-3-yl)-1,3-thiazole has a molecular weight of 320.21 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-2-(2-methylfuran-3-yl)-1,3-thiazole is sourced from PubChem (CID 113453495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).