(3-bromofuran-2-yl)-(2-methyl-1,3-thiazol-4-yl)methanone

C9H6BrNO2S — CID 105101678

IUPAC(3-bromofuran-2-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)c2occc2Br)cs1
InChIInChI=1S/C9H6BrNO2S/c1-5-11-7(4-14-5)8(12)9-6(10)2-3-13-9/h2-4H,1H3
InChIKeyOYHZRLLODRCEEP-UHFFFAOYSA-N
MW272.12 g/mol
LogP3.04
Rot. Bonds2

About (3-bromofuran-2-yl)-(2-methyl-1,3-thiazol-4-yl)methanone

(3-bromofuran-2-yl)-(2-methyl-1,3-thiazol-4-yl)methanone (PubChem CID 105101678) has the molecular formula C9H6BrNO2S and a molecular weight of 272.12 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-(2-methyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
PubChem CID105101678
Molecular FormulaC9H6BrNO2S
Molecular Weight272.12 g/mol
Exact Mass270.93
IUPAC Name(3-bromofuran-2-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)c2occc2Br)cs1
InChIInChI=1S/C9H6BrNO2S/c1-5-11-7(4-14-5)8(12)9-6(10)2-3-13-9/h2-4H,1H3
InChIKeyOYHZRLLODRCEEP-UHFFFAOYSA-N
XLogP3.04
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.12
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6-bromo-2-pyridinyl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 166910014
(3-bromo-2,4-dimethoxyphenyl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 103524389
(3-bromofuran-2-yl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 114973321
(4-bromo-1-ethylpyrazol-5-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 105130217
methyl 5-(2-methyl-1,3-thiazole-4-carbonyl)furan-2-carboxylate
CID 106946619
(2-methyl-1,3-thiazol-4-yl)-pyrimidin-5-ylmethanone
CID 105085451
1-(3-bromofuran-2-yl)-2-(4-bromothiophen-2-yl)ethanone
CID 164655288
(3-methylphenyl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 105079306
(4-ethylphenyl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 82128688
2-(4-bromophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 105078985
2-(4-bromothiophen-2-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 105092482
N-[(5-bromothiophen-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443992

Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-(2-methyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of (3-bromofuran-2-yl)-(2-methyl-1,3-thiazol-4-yl)methanone (CID 105101678) is (3-bromofuran-2-yl)-(2-methyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (3-bromofuran-2-yl)-(2-methyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for (3-bromofuran-2-yl)-(2-methyl-1,3-thiazol-4-yl)methanone is Cc1nc(C(=O)c2occc2Br)cs1.
What is the InChIKey of (3-bromofuran-2-yl)-(2-methyl-1,3-thiazol-4-yl)methanone?
The InChIKey is OYHZRLLODRCEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrNO2S/c1-5-11-7(4-14-5)8(12)9-6(10)2-3-13-9/h2-4H,1H3.
What are the key properties of (3-bromofuran-2-yl)-(2-methyl-1,3-thiazol-4-yl)methanone?
(3-bromofuran-2-yl)-(2-methyl-1,3-thiazol-4-yl)methanone has a molecular weight of 272.12 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromofuran-2-yl)-(2-methyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 105101678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).