(2-chlorofuran-3-yl)-(2-methyl-1,3-thiazol-4-yl)methanol

C9H8ClNO2S — CID 130918594

IUPAC(2-chlorofuran-3-yl)-(2-methyl-1,3-thiazol-4-yl)methanol
SMILESCc1nc(C(O)c2ccoc2Cl)cs1
InChIInChI=1S/C9H8ClNO2S/c1-5-11-7(4-14-5)8(12)6-2-3-13-9(6)10/h2-4,8,12H,1H3
InChIKeyCMOFUBRCFLWQBH-UHFFFAOYSA-N
MW229.69 g/mol
LogP2.78
Rot. Bonds2

About (2-chlorofuran-3-yl)-(2-methyl-1,3-thiazol-4-yl)methanol

(2-chlorofuran-3-yl)-(2-methyl-1,3-thiazol-4-yl)methanol (PubChem CID 130918594) has the molecular formula C9H8ClNO2S and a molecular weight of 229.69 g/mol. Its IUPAC name is (2-chlorofuran-3-yl)-(2-methyl-1,3-thiazol-4-yl)methanol.

Molecular Properties

Compound Name(2-chlorofuran-3-yl)-(2-methyl-1,3-thiazol-4-yl)methanol
PubChem CID130918594
Molecular FormulaC9H8ClNO2S
Molecular Weight229.69 g/mol
Exact Mass229.00
IUPAC Name(2-chlorofuran-3-yl)-(2-methyl-1,3-thiazol-4-yl)methanol
SMILESCc1nc(C(O)c2ccoc2Cl)cs1
InChIInChI=1S/C9H8ClNO2S/c1-5-11-7(4-14-5)8(12)6-2-3-13-9(6)10/h2-4,8,12H,1H3
InChIKeyCMOFUBRCFLWQBH-UHFFFAOYSA-N
XLogP2.78
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.69
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorofuran-3-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 106692348
(2-chlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105099807
(3-bromofuran-2-yl)-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105150606
(1R,2S)-1-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 124505318
(3-fluoro-4-methoxyphenyl)-(2-methyl-1,3-thiazol-4-yl)methanol
CID 113472302
(2-chlorofuran-3-yl)-(4-methoxy-2-methylphenyl)methanol
CID 106693602
(2-chlorofuran-3-yl)-(cyclohexen-1-yl)methanol
CID 106694120
(2-chlorofuran-3-yl)-(3-methyltriazol-4-yl)methanol
CID 106694030
(1R)-2-amino-1-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 28819519
2-iodo-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 137495706
1-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-2-ol;dihydrochloride
CID 122156676
4-(dibromomethyl)-2-methyl-1,3-thiazole
CID 119088205

Frequently Asked Questions

What is the IUPAC name of (2-chlorofuran-3-yl)-(2-methyl-1,3-thiazol-4-yl)methanol?
The IUPAC name of (2-chlorofuran-3-yl)-(2-methyl-1,3-thiazol-4-yl)methanol (CID 130918594) is (2-chlorofuran-3-yl)-(2-methyl-1,3-thiazol-4-yl)methanol.
What is the SMILES notation for (2-chlorofuran-3-yl)-(2-methyl-1,3-thiazol-4-yl)methanol?
The canonical SMILES for (2-chlorofuran-3-yl)-(2-methyl-1,3-thiazol-4-yl)methanol is Cc1nc(C(O)c2ccoc2Cl)cs1.
What is the InChIKey of (2-chlorofuran-3-yl)-(2-methyl-1,3-thiazol-4-yl)methanol?
The InChIKey is CMOFUBRCFLWQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO2S/c1-5-11-7(4-14-5)8(12)6-2-3-13-9(6)10/h2-4,8,12H,1H3.
What are the key properties of (2-chlorofuran-3-yl)-(2-methyl-1,3-thiazol-4-yl)methanol?
(2-chlorofuran-3-yl)-(2-methyl-1,3-thiazol-4-yl)methanol has a molecular weight of 229.69 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorofuran-3-yl)-(2-methyl-1,3-thiazol-4-yl)methanol is sourced from PubChem (CID 130918594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).