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

C14H10Br2N2O2S — CID 134535469

IUPAC(3,5-dibromo-4-hydroxyphenyl)-(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)methanone
SMILESCCc1nc2sccn2c1C(=O)c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C14H10Br2N2O2S/c1-2-10-11(18-3-4-21-14(18)17-10)12(19)7-5-8(15)13(20)9(16)6-7/h3-6,20H,2H2,1H3
InChIKeyNXRSKJNYPXDPIN-UHFFFAOYSA-N
MW430.12 g/mol
LogP4.42
Rot. Bonds3

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

(3,5-dibromo-4-hydroxyphenyl)-(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)methanone (PubChem CID 134535469) has the molecular formula C14H10Br2N2O2S and a molecular weight of 430.12 g/mol. Its IUPAC name is (3,5-dibromo-4-hydroxyphenyl)-(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)methanone.

Molecular Properties

Compound Name(3,5-dibromo-4-hydroxyphenyl)-(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)methanone
PubChem CID134535469
Molecular FormulaC14H10Br2N2O2S
Molecular Weight430.12 g/mol
Exact Mass427.88
IUPAC Name(3,5-dibromo-4-hydroxyphenyl)-(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)methanone
SMILESCCc1nc2sccn2c1C(=O)c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C14H10Br2N2O2S/c1-2-10-11(18-3-4-21-14(18)17-10)12(19)7-5-8(15)13(20)9(16)6-7/h3-6,20H,2H2,1H3
InChIKeyNXRSKJNYPXDPIN-UHFFFAOYSA-N
XLogP4.42
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.12
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,5-dibromo-4-hydroxyphenyl)-(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)methanone?
The IUPAC name of (3,5-dibromo-4-hydroxyphenyl)-(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)methanone (CID 134535469) is (3,5-dibromo-4-hydroxyphenyl)-(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)methanone.
What is the SMILES notation for (3,5-dibromo-4-hydroxyphenyl)-(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)methanone?
The canonical SMILES for (3,5-dibromo-4-hydroxyphenyl)-(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)methanone is CCc1nc2sccn2c1C(=O)c1cc(Br)c(O)c(Br)c1.
What is the InChIKey of (3,5-dibromo-4-hydroxyphenyl)-(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)methanone?
The InChIKey is NXRSKJNYPXDPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2N2O2S/c1-2-10-11(18-3-4-21-14(18)17-10)12(19)7-5-8(15)13(20)9(16)6-7/h3-6,20H,2H2,1H3.
What are the key properties of (3,5-dibromo-4-hydroxyphenyl)-(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)methanone?
(3,5-dibromo-4-hydroxyphenyl)-(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)methanone has a molecular weight of 430.12 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromo-4-hydroxyphenyl)-(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)methanone is sourced from PubChem (CID 134535469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).