3,5-dichloro-4-hydroxy-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]benzamide

C15H12Cl2N4O2S — CID 25348239

IUPAC3,5-dichloro-4-hydroxy-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]benzamide
SMILESCc1nc(NC(=O)c2cc(Cl)c(O)c(Cl)c2)sc1-c1nccn1C
InChIInChI=1S/C15H12Cl2N4O2S/c1-7-12(13-18-3-4-21(13)2)24-15(19-7)20-14(23)8-5-9(16)11(22)10(17)6-8/h3-6,22H,1-2H3,(H,19,20,23)
InChIKeyZTLHMPRXOQMGTL-UHFFFAOYSA-N
MW383.26 g/mol
LogP4.12
Rot. Bonds3

About 3,5-dichloro-4-hydroxy-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]benzamide

3,5-dichloro-4-hydroxy-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]benzamide (PubChem CID 25348239) has the molecular formula C15H12Cl2N4O2S and a molecular weight of 383.26 g/mol. Its IUPAC name is 3,5-dichloro-4-hydroxy-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-4-hydroxy-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]benzamide
PubChem CID25348239
Molecular FormulaC15H12Cl2N4O2S
Molecular Weight383.26 g/mol
Exact Mass382.01
IUPAC Name3,5-dichloro-4-hydroxy-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]benzamide
SMILESCc1nc(NC(=O)c2cc(Cl)c(O)c(Cl)c2)sc1-c1nccn1C
InChIInChI=1S/C15H12Cl2N4O2S/c1-7-12(13-18-3-4-21(13)2)24-15(19-7)20-14(23)8-5-9(16)11(22)10(17)6-8/h3-6,22H,1-2H3,(H,19,20,23)
InChIKeyZTLHMPRXOQMGTL-UHFFFAOYSA-N
XLogP4.12
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.26
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-hydroxy-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3,5-dichloro-4-hydroxy-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]benzamide (CID 25348239) is 3,5-dichloro-4-hydroxy-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3,5-dichloro-4-hydroxy-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3,5-dichloro-4-hydroxy-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]benzamide is Cc1nc(NC(=O)c2cc(Cl)c(O)c(Cl)c2)sc1-c1nccn1C.
What is the InChIKey of 3,5-dichloro-4-hydroxy-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is ZTLHMPRXOQMGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4O2S/c1-7-12(13-18-3-4-21(13)2)24-15(19-7)20-14(23)8-5-9(16)11(22)10(17)6-8/h3-6,22H,1-2H3,(H,19,20,23).
What are the key properties of 3,5-dichloro-4-hydroxy-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]benzamide?
3,5-dichloro-4-hydroxy-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 383.26 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-hydroxy-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 25348239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).