2-chloro-N'-[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]benzohydrazide

C15H10Cl2N4O2S — CID 35929660

IUPAC2-chloro-N'-[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]benzohydrazide
SMILESO=C(/C=C/c1c(Cl)nc2sccn12)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C15H10Cl2N4O2S/c16-10-4-2-1-3-9(10)14(23)20-19-12(22)6-5-11-13(17)18-15-21(11)7-8-24-15/h1-8H,(H,19,22)(H,20,23)/b6-5+
InChIKeyLJKZCDCZXGLPLB-AATRIKPKSA-N
MW381.24 g/mol
LogP3.18
Rot. Bonds3

About 2-chloro-N'-[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]benzohydrazide

2-chloro-N'-[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]benzohydrazide (PubChem CID 35929660) has the molecular formula C15H10Cl2N4O2S and a molecular weight of 381.24 g/mol. Its IUPAC name is 2-chloro-N'-[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]benzohydrazide.

Molecular Properties

Compound Name2-chloro-N'-[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]benzohydrazide
PubChem CID35929660
Molecular FormulaC15H10Cl2N4O2S
Molecular Weight381.24 g/mol
Exact Mass379.99
IUPAC Name2-chloro-N'-[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]benzohydrazide
SMILESO=C(/C=C/c1c(Cl)nc2sccn12)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C15H10Cl2N4O2S/c16-10-4-2-1-3-9(10)14(23)20-19-12(22)6-5-11-13(17)18-15-21(11)7-8-24-15/h1-8H,(H,19,22)(H,20,23)/b6-5+
InChIKeyLJKZCDCZXGLPLB-AATRIKPKSA-N
XLogP3.18
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.24
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]benzohydrazide?
The IUPAC name of 2-chloro-N'-[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]benzohydrazide (CID 35929660) is 2-chloro-N'-[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]benzohydrazide.
What is the SMILES notation for 2-chloro-N'-[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]benzohydrazide?
The canonical SMILES for 2-chloro-N'-[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]benzohydrazide is O=C(/C=C/c1c(Cl)nc2sccn12)NNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N'-[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]benzohydrazide?
The InChIKey is LJKZCDCZXGLPLB-AATRIKPKSA-N. The full InChI is InChI=1S/C15H10Cl2N4O2S/c16-10-4-2-1-3-9(10)14(23)20-19-12(22)6-5-11-13(17)18-15-21(11)7-8-24-15/h1-8H,(H,19,22)(H,20,23)/b6-5+.
What are the key properties of 2-chloro-N'-[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]benzohydrazide?
2-chloro-N'-[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]benzohydrazide has a molecular weight of 381.24 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]benzohydrazide is sourced from PubChem (CID 35929660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).