(7-chloro-1-benzofuran-2-yl)-(4-methyl-1,3-thiazol-5-yl)methanol

C13H10ClNO2S — CID 105130423

IUPAC(7-chloro-1-benzofuran-2-yl)-(4-methyl-1,3-thiazol-5-yl)methanol
SMILESCc1ncsc1C(O)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C13H10ClNO2S/c1-7-13(18-6-15-7)11(16)10-5-8-3-2-4-9(14)12(8)17-10/h2-6,11,16H,1H3
InChIKeyWQXKGVRCHRJRSS-UHFFFAOYSA-N
MW279.75 g/mol
LogP3.93
Rot. Bonds2

About (7-chloro-1-benzofuran-2-yl)-(4-methyl-1,3-thiazol-5-yl)methanol

(7-chloro-1-benzofuran-2-yl)-(4-methyl-1,3-thiazol-5-yl)methanol (PubChem CID 105130423) has the molecular formula C13H10ClNO2S and a molecular weight of 279.75 g/mol. Its IUPAC name is (7-chloro-1-benzofuran-2-yl)-(4-methyl-1,3-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(7-chloro-1-benzofuran-2-yl)-(4-methyl-1,3-thiazol-5-yl)methanol
PubChem CID105130423
Molecular FormulaC13H10ClNO2S
Molecular Weight279.75 g/mol
Exact Mass279.01
IUPAC Name(7-chloro-1-benzofuran-2-yl)-(4-methyl-1,3-thiazol-5-yl)methanol
SMILESCc1ncsc1C(O)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C13H10ClNO2S/c1-7-13(18-6-15-7)11(16)10-5-8-3-2-4-9(14)12(8)17-10/h2-6,11,16H,1H3
InChIKeyWQXKGVRCHRJRSS-UHFFFAOYSA-N
XLogP3.93
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(7-chloro-1-benzofuran-2-yl)-(3-chloro-4-methylthiophen-2-yl)methanol
CID 103408290
(7-chloro-1-benzofuran-2-yl)-(1,3-dimethylpyrazol-4-yl)methanol
CID 114724689
(7-chloro-1-benzofuran-2-yl)-(6-methyl-3-pyridinyl)methanol
CID 114724795
(7-chloro-1-benzofuran-2-yl)-(4-ethylthiadiazol-5-yl)methanol
CID 105130440
(2-tert-butyl-1,3-thiazol-4-yl)-(7-chloro-1-benzofuran-2-yl)methanol
CID 114724837
(3,4-dichlorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol
CID 22101846
1-(7-chloro-1-benzofuran-2-yl)-2-methylpropan-1-ol
CID 65426322
(5-bromo-2-pyridinyl)-(7-chloro-1-benzofuran-2-yl)methanol
CID 114724758
(4-bromophenyl)-(7-chloro-1-benzofuran-2-yl)methanol
CID 114723321
(5-tert-butylthiophen-2-yl)-(7-chloro-1-benzofuran-2-yl)methanol
CID 114724447
(7-chloro-1-benzofuran-2-yl)-(2-fluoro-4-methylphenyl)methanol
CID 115837454
furan-2-yl-(4-methyl-1,3-thiazol-5-yl)methanol
CID 22101827

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1-benzofuran-2-yl)-(4-methyl-1,3-thiazol-5-yl)methanol?
The IUPAC name of (7-chloro-1-benzofuran-2-yl)-(4-methyl-1,3-thiazol-5-yl)methanol (CID 105130423) is (7-chloro-1-benzofuran-2-yl)-(4-methyl-1,3-thiazol-5-yl)methanol.
What is the SMILES notation for (7-chloro-1-benzofuran-2-yl)-(4-methyl-1,3-thiazol-5-yl)methanol?
The canonical SMILES for (7-chloro-1-benzofuran-2-yl)-(4-methyl-1,3-thiazol-5-yl)methanol is Cc1ncsc1C(O)c1cc2cccc(Cl)c2o1.
What is the InChIKey of (7-chloro-1-benzofuran-2-yl)-(4-methyl-1,3-thiazol-5-yl)methanol?
The InChIKey is WQXKGVRCHRJRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO2S/c1-7-13(18-6-15-7)11(16)10-5-8-3-2-4-9(14)12(8)17-10/h2-6,11,16H,1H3.
What are the key properties of (7-chloro-1-benzofuran-2-yl)-(4-methyl-1,3-thiazol-5-yl)methanol?
(7-chloro-1-benzofuran-2-yl)-(4-methyl-1,3-thiazol-5-yl)methanol has a molecular weight of 279.75 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-1-benzofuran-2-yl)-(4-methyl-1,3-thiazol-5-yl)methanol is sourced from PubChem (CID 105130423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).