3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N'-(4-fluorophenyl)prop-2-enehydrazide

C14H10ClFN4OS — CID 71903964

IUPAC3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N'-(4-fluorophenyl)prop-2-enehydrazide
SMILESO=C(C=Cc1c(Cl)nc2sccn12)NNc1ccc(F)cc1
InChIInChI=1S/C14H10ClFN4OS/c15-13-11(20-7-8-22-14(20)17-13)5-6-12(21)19-18-10-3-1-9(16)2-4-10/h1-8,18H,(H,19,21)
InChIKeySMVMQUPCYZOASH-UHFFFAOYSA-N
MW336.78 g/mol
LogP3.34
Rot. Bonds4

About 3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N'-(4-fluorophenyl)prop-2-enehydrazide

3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N'-(4-fluorophenyl)prop-2-enehydrazide (PubChem CID 71903964) has the molecular formula C14H10ClFN4OS and a molecular weight of 336.78 g/mol. Its IUPAC name is 3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N'-(4-fluorophenyl)prop-2-enehydrazide.

Molecular Properties

Compound Name3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N'-(4-fluorophenyl)prop-2-enehydrazide
PubChem CID71903964
Molecular FormulaC14H10ClFN4OS
Molecular Weight336.78 g/mol
Exact Mass336.02
IUPAC Name3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N'-(4-fluorophenyl)prop-2-enehydrazide
SMILESO=C(C=Cc1c(Cl)nc2sccn12)NNc1ccc(F)cc1
InChIInChI=1S/C14H10ClFN4OS/c15-13-11(20-7-8-22-14(20)17-13)5-6-12(21)19-18-10-3-1-9(16)2-4-10/h1-8,18H,(H,19,21)
InChIKeySMVMQUPCYZOASH-UHFFFAOYSA-N
XLogP3.34
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 53.34
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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Related Compounds

(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(4-chlorophenyl)prop-2-enamide
CID 36678294
N'-[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]-2-fluorobenzohydrazide
CID 31794685
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-methylprop-2-enamide
CID 60630731
2-chloro-N'-[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]benzohydrazide
CID 35929660
2-[[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]amino]acetic acid
CID 43354436
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(4-ethylphenyl)prop-2-enamide
CID 37345011
(E)-N-(4-chloro-2-fluorophenyl)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide
CID 36681573
(E)-N-(1,3-benzodioxol-5-yl)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide
CID 2348698
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-enamide
CID 37121177
(Z)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-cyclopropylprop-2-enamide
CID 97305767
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(3-chloro-4-methoxyphenyl)prop-2-enamide
CID 37345715
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 32983057

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N'-(4-fluorophenyl)prop-2-enehydrazide?
The IUPAC name of 3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N'-(4-fluorophenyl)prop-2-enehydrazide (CID 71903964) is 3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N'-(4-fluorophenyl)prop-2-enehydrazide.
What is the SMILES notation for 3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N'-(4-fluorophenyl)prop-2-enehydrazide?
The canonical SMILES for 3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N'-(4-fluorophenyl)prop-2-enehydrazide is O=C(C=Cc1c(Cl)nc2sccn12)NNc1ccc(F)cc1.
What is the InChIKey of 3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N'-(4-fluorophenyl)prop-2-enehydrazide?
The InChIKey is SMVMQUPCYZOASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN4OS/c15-13-11(20-7-8-22-14(20)17-13)5-6-12(21)19-18-10-3-1-9(16)2-4-10/h1-8,18H,(H,19,21).
What are the key properties of 3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N'-(4-fluorophenyl)prop-2-enehydrazide?
3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N'-(4-fluorophenyl)prop-2-enehydrazide has a molecular weight of 336.78 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N'-(4-fluorophenyl)prop-2-enehydrazide is sourced from PubChem (CID 71903964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).