[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl furan-2-carboxylate

C15H10BrNO3S — CID 7814672

IUPAC[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl furan-2-carboxylate
SMILESO=C(OCc1csc(-c2cccc(Br)c2)n1)c1ccco1
InChIInChI=1S/C15H10BrNO3S/c16-11-4-1-3-10(7-11)14-17-12(9-21-14)8-20-15(18)13-5-2-6-19-13/h1-7,9H,8H2
InChIKeyKKUQUGKMTPPDMA-UHFFFAOYSA-N
MW364.22 g/mol
LogP4.52
Rot. Bonds4

About [2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl furan-2-carboxylate

[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl furan-2-carboxylate (PubChem CID 7814672) has the molecular formula C15H10BrNO3S and a molecular weight of 364.22 g/mol. Its IUPAC name is [2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl furan-2-carboxylate.

Molecular Properties

Compound Name[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl furan-2-carboxylate
PubChem CID7814672
Molecular FormulaC15H10BrNO3S
Molecular Weight364.22 g/mol
Exact Mass362.96
IUPAC Name[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl furan-2-carboxylate
SMILESO=C(OCc1csc(-c2cccc(Br)c2)n1)c1ccco1
InChIInChI=1S/C15H10BrNO3S/c16-11-4-1-3-10(7-11)14-17-12(9-21-14)8-20-15(18)13-5-2-6-19-13/h1-7,9H,8H2
InChIKeyKKUQUGKMTPPDMA-UHFFFAOYSA-N
XLogP4.52
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.22
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-bromophenyl)-4-(methoxymethyl)-1,3-thiazole
CID 107511692
[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(furan-2-carbonylamino)acetate
CID 46559524
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]ethanethiol
CID 116889576
(2-phenyl-1,3-thiazol-4-yl)methyl anthracene-9-carboxylate
CID 7786495
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(furan-2-carbonylamino)acetate
CID 7880026
1-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-2-methylpropan-2-amine
CID 116888250
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide
CID 2997523
(2-phenyl-1,3-thiazol-4-yl)methyl pyridine-4-carboxylate
CID 7478095
1-(azocan-1-yl)-2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]ethanone
CID 55374619
(2-phenyl-1,3-thiazol-4-yl)methyl 3-(trifluoromethyl)benzoate
CID 7860078
N-(2-amino-2-methylpropyl)-2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119629857
[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl furan-2-carboxylate
CID 7813926

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl furan-2-carboxylate?
The IUPAC name of [2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl furan-2-carboxylate (CID 7814672) is [2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl furan-2-carboxylate.
What is the SMILES notation for [2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl furan-2-carboxylate?
The canonical SMILES for [2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl furan-2-carboxylate is O=C(OCc1csc(-c2cccc(Br)c2)n1)c1ccco1.
What is the InChIKey of [2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl furan-2-carboxylate?
The InChIKey is KKUQUGKMTPPDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNO3S/c16-11-4-1-3-10(7-11)14-17-12(9-21-14)8-20-15(18)13-5-2-6-19-13/h1-7,9H,8H2.
What are the key properties of [2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl furan-2-carboxylate?
[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl furan-2-carboxylate has a molecular weight of 364.22 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl furan-2-carboxylate is sourced from PubChem (CID 7814672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).