(4-bromo-1,3-thiazol-2-yl)-(3-methylfuran-2-yl)methanol

C9H8BrNO2S — CID 114684488

IUPAC(4-bromo-1,3-thiazol-2-yl)-(3-methylfuran-2-yl)methanol
SMILESCc1ccoc1C(O)c1nc(Br)cs1
InChIInChI=1S/C9H8BrNO2S/c1-5-2-3-13-8(5)7(12)9-11-6(10)4-14-9/h2-4,7,12H,1H3
InChIKeyNAWMVIXCFFDEBZ-UHFFFAOYSA-N
MW274.14 g/mol
LogP2.89
Rot. Bonds2

About (4-bromo-1,3-thiazol-2-yl)-(3-methylfuran-2-yl)methanol

(4-bromo-1,3-thiazol-2-yl)-(3-methylfuran-2-yl)methanol (PubChem CID 114684488) has the molecular formula C9H8BrNO2S and a molecular weight of 274.14 g/mol. Its IUPAC name is (4-bromo-1,3-thiazol-2-yl)-(3-methylfuran-2-yl)methanol.

Molecular Properties

Compound Name(4-bromo-1,3-thiazol-2-yl)-(3-methylfuran-2-yl)methanol
PubChem CID114684488
Molecular FormulaC9H8BrNO2S
Molecular Weight274.14 g/mol
Exact Mass272.95
IUPAC Name(4-bromo-1,3-thiazol-2-yl)-(3-methylfuran-2-yl)methanol
SMILESCc1ccoc1C(O)c1nc(Br)cs1
InChIInChI=1S/C9H8BrNO2S/c1-5-2-3-13-8(5)7(12)9-11-6(10)4-14-9/h2-4,7,12H,1H3
InChIKeyNAWMVIXCFFDEBZ-UHFFFAOYSA-N
XLogP2.89
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.14
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-1,3-thiazol-2-yl)-(3-methylthiophen-2-yl)methanol
CID 114684226
(5-bromo-4-methylthiophen-2-yl)-(3-methylfuran-2-yl)methanol
CID 79991143
(4,5-dibromothiophen-2-yl)-(3-methylfuran-2-yl)methanol
CID 80535252
(5-bromothiophen-2-yl)-(3-methylfuran-2-yl)methanol
CID 61081936
(4-bromo-1,3-thiazol-2-yl)-pyridin-4-ylmethanol
CID 114684195
(3-methylfuran-2-yl)-(2-methylthiophen-3-yl)methanol
CID 102829434
(4-bromo-1,3-thiazol-2-yl)-(2,5-dimethylthiophen-3-yl)methanol
CID 114684275
(4-bromo-1,3-thiazol-2-yl)-(2-ethylphenyl)methanol
CID 114684273
(3-methylfuran-2-yl)-(2,3,5,6-tetramethylphenyl)methanol
CID 61089048
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methylfuran-2-yl)methanol
CID 114638477
furan-2-yl-(4-methyl-1,3-thiazol-2-yl)methanol
CID 104769449
(4-bromo-1-ethylpyrazol-5-yl)-(3-methylfuran-2-yl)methanol
CID 114638472

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1,3-thiazol-2-yl)-(3-methylfuran-2-yl)methanol?
The IUPAC name of (4-bromo-1,3-thiazol-2-yl)-(3-methylfuran-2-yl)methanol (CID 114684488) is (4-bromo-1,3-thiazol-2-yl)-(3-methylfuran-2-yl)methanol.
What is the SMILES notation for (4-bromo-1,3-thiazol-2-yl)-(3-methylfuran-2-yl)methanol?
The canonical SMILES for (4-bromo-1,3-thiazol-2-yl)-(3-methylfuran-2-yl)methanol is Cc1ccoc1C(O)c1nc(Br)cs1.
What is the InChIKey of (4-bromo-1,3-thiazol-2-yl)-(3-methylfuran-2-yl)methanol?
The InChIKey is NAWMVIXCFFDEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO2S/c1-5-2-3-13-8(5)7(12)9-11-6(10)4-14-9/h2-4,7,12H,1H3.
What are the key properties of (4-bromo-1,3-thiazol-2-yl)-(3-methylfuran-2-yl)methanol?
(4-bromo-1,3-thiazol-2-yl)-(3-methylfuran-2-yl)methanol has a molecular weight of 274.14 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1,3-thiazol-2-yl)-(3-methylfuran-2-yl)methanol is sourced from PubChem (CID 114684488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).