[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]methanol

C10H11NO2S — CID 62923776

IUPAC[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]methanol
SMILESCc1cc(-c2csc(CO)n2)c(C)o1
InChIInChI=1S/C10H11NO2S/c1-6-3-8(7(2)13-6)9-5-14-10(4-12)11-9/h3,5,12H,4H2,1-2H3
InChIKeyBSQRQPAFWCHTRY-UHFFFAOYSA-N
MW209.27 g/mol
LogP2.51
Rot. Bonds2

About [4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]methanol

[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]methanol (PubChem CID 62923776) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is [4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]methanol.

Molecular Properties

Compound Name[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]methanol
PubChem CID62923776
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Name[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]methanol
SMILESCc1cc(-c2csc(CO)n2)c(C)o1
InChIInChI=1S/C10H11NO2S/c1-6-3-8(7(2)13-6)9-5-14-10(4-12)11-9/h3,5,12H,4H2,1-2H3
InChIKeyBSQRQPAFWCHTRY-UHFFFAOYSA-N
XLogP2.51
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]acetamide
CID 47066446
(2R)-2-amino-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide;hydrochloride
CID 119300524
[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]methanol
CID 65194289
2-[2-(hydroxymethyl)-1,3-thiazol-4-yl]phenol
CID 105460333
[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methanol
CID 46785514
[4-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-1,3-thiazol-2-yl]methanol
CID 71979916
ethane;(4-methyl-1,3-thiazol-2-yl)methanol
CID 144707130
N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 119300523
[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]methanol
CID 82124686
[4-(2,4-dimethoxy-6-methylphenyl)-1,3-thiazol-2-yl]methanol
CID 116867467
3-(1,3-benzothiazol-2-yl)-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide
CID 55922394
4-(2,5-dimethylfuran-3-yl)-N-(4-methyl-3-pyridinyl)-1,3-thiazol-2-amine
CID 72720166

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]methanol?
The IUPAC name of [4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]methanol (CID 62923776) is [4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]methanol.
What is the SMILES notation for [4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]methanol?
The canonical SMILES for [4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]methanol is Cc1cc(-c2csc(CO)n2)c(C)o1.
What is the InChIKey of [4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]methanol?
The InChIKey is BSQRQPAFWCHTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c1-6-3-8(7(2)13-6)9-5-14-10(4-12)11-9/h3,5,12H,4H2,1-2H3.
What are the key properties of [4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]methanol?
[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]methanol has a molecular weight of 209.27 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]methanol is sourced from PubChem (CID 62923776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).