(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)-(4-hydroxyphenyl)methanone;hydrochloride

C14H13ClN2O2S — CID 21145965

IUPAC(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)-(4-hydroxyphenyl)methanone;hydrochloride
SMILESCCc1nc2sccn2c1C(=O)c1ccc(O)cc1.Cl
InChIInChI=1S/C14H12N2O2S.ClH/c1-2-11-12(16-7-8-19-14(16)15-11)13(18)9-3-5-10(17)6-4-9;/h3-8,17H,2H2,1H3;1H
InChIKeyVCLIROBWRFSONJ-UHFFFAOYSA-N
MW308.79 g/mol
LogP3.32
Rot. Bonds3

About (6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)-(4-hydroxyphenyl)methanone;hydrochloride

(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)-(4-hydroxyphenyl)methanone;hydrochloride (PubChem CID 21145965) has the molecular formula C14H13ClN2O2S and a molecular weight of 308.79 g/mol. Its IUPAC name is (6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)-(4-hydroxyphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)-(4-hydroxyphenyl)methanone;hydrochloride
PubChem CID21145965
Molecular FormulaC14H13ClN2O2S
Molecular Weight308.79 g/mol
Exact Mass308.04
IUPAC Name(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)-(4-hydroxyphenyl)methanone;hydrochloride
SMILESCCc1nc2sccn2c1C(=O)c1ccc(O)cc1.Cl
InChIInChI=1S/C14H12N2O2S.ClH/c1-2-11-12(16-7-8-19-14(16)15-11)13(18)9-3-5-10(17)6-4-9;/h3-8,17H,2H2,1H3;1H
InChIKeyVCLIROBWRFSONJ-UHFFFAOYSA-N
XLogP3.32
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 455751
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CID 455747
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CID 5202631
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CID 115333223
CID 115791892
CID 115791892
CID 115791915
CID 115791915
CID 3416495
CID 3416495
CID 4504270
CID 4504270
CID 7150866
CID 7150866
CID 11436870
CID 11436870
CID 1515983
CID 1515983

Frequently Asked Questions

What is the IUPAC name of (6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)-(4-hydroxyphenyl)methanone;hydrochloride?
The IUPAC name of (6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)-(4-hydroxyphenyl)methanone;hydrochloride (CID 21145965) is (6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)-(4-hydroxyphenyl)methanone;hydrochloride.
What is the SMILES notation for (6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)-(4-hydroxyphenyl)methanone;hydrochloride?
The canonical SMILES for (6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)-(4-hydroxyphenyl)methanone;hydrochloride is CCc1nc2sccn2c1C(=O)c1ccc(O)cc1.Cl.
What is the InChIKey of (6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)-(4-hydroxyphenyl)methanone;hydrochloride?
The InChIKey is VCLIROBWRFSONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S.ClH/c1-2-11-12(16-7-8-19-14(16)15-11)13(18)9-3-5-10(17)6-4-9;/h3-8,17H,2H2,1H3;1H.
What are the key properties of (6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)-(4-hydroxyphenyl)methanone;hydrochloride?
(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)-(4-hydroxyphenyl)methanone;hydrochloride has a molecular weight of 308.79 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)-(4-hydroxyphenyl)methanone;hydrochloride is sourced from PubChem (CID 21145965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).