2,4-dichloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-fluoro-N-methylbenzamide

C16H14Cl2FN3OS — CID 112804858

IUPAC2,4-dichloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-fluoro-N-methylbenzamide
SMILESCc1cn2c(CN(C)C(=O)c3cc(F)c(Cl)cc3Cl)c(C)nc2s1
InChIInChI=1S/C16H14Cl2FN3OS/c1-8-6-22-14(9(2)20-16(22)24-8)7-21(3)15(23)10-4-13(19)12(18)5-11(10)17/h4-6H,7H2,1-3H3
InChIKeyPIOSNUNMZDFZHE-UHFFFAOYSA-N
MW386.28 g/mol
LogP4.73
Rot. Bonds3

About 2,4-dichloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-fluoro-N-methylbenzamide

2,4-dichloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-fluoro-N-methylbenzamide (PubChem CID 112804858) has the molecular formula C16H14Cl2FN3OS and a molecular weight of 386.28 g/mol. Its IUPAC name is 2,4-dichloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-fluoro-N-methylbenzamide
PubChem CID112804858
Molecular FormulaC16H14Cl2FN3OS
Molecular Weight386.28 g/mol
Exact Mass385.02
IUPAC Name2,4-dichloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-fluoro-N-methylbenzamide
SMILESCc1cn2c(CN(C)C(=O)c3cc(F)c(Cl)cc3Cl)c(C)nc2s1
InChIInChI=1S/C16H14Cl2FN3OS/c1-8-6-22-14(9(2)20-16(22)24-8)7-21(3)15(23)10-4-13(19)12(18)5-11(10)17/h4-6H,7H2,1-3H3
InChIKeyPIOSNUNMZDFZHE-UHFFFAOYSA-N
XLogP4.73
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.28
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-fluoro-N-methylbenzamide?
The IUPAC name of 2,4-dichloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-fluoro-N-methylbenzamide (CID 112804858) is 2,4-dichloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-fluoro-N-methylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-fluoro-N-methylbenzamide?
The canonical SMILES for 2,4-dichloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-fluoro-N-methylbenzamide is Cc1cn2c(CN(C)C(=O)c3cc(F)c(Cl)cc3Cl)c(C)nc2s1.
What is the InChIKey of 2,4-dichloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-fluoro-N-methylbenzamide?
The InChIKey is PIOSNUNMZDFZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2FN3OS/c1-8-6-22-14(9(2)20-16(22)24-8)7-21(3)15(23)10-4-13(19)12(18)5-11(10)17/h4-6H,7H2,1-3H3.
What are the key properties of 2,4-dichloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-fluoro-N-methylbenzamide?
2,4-dichloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-fluoro-N-methylbenzamide has a molecular weight of 386.28 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-fluoro-N-methylbenzamide is sourced from PubChem (CID 112804858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).