6-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide

C14H10Cl2FN3OS — CID 16605035

IUPAC6-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)c1c(Cl)nc2sccn12
InChIInChI=1S/C14H10Cl2FN3OS/c1-19(7-8-9(15)3-2-4-10(8)17)13(21)11-12(16)18-14-20(11)5-6-22-14/h2-6H,7H2,1H3
InChIKeyYIBBTTIHYRXEOY-UHFFFAOYSA-N
MW358.23 g/mol
LogP4.11
Rot. Bonds3

About 6-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide

6-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 16605035) has the molecular formula C14H10Cl2FN3OS and a molecular weight of 358.23 g/mol. Its IUPAC name is 6-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID16605035
Molecular FormulaC14H10Cl2FN3OS
Molecular Weight358.23 g/mol
Exact Mass356.99
IUPAC Name6-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)c1c(Cl)nc2sccn12
InChIInChI=1S/C14H10Cl2FN3OS/c1-19(7-8-9(15)3-2-4-10(8)17)13(21)11-12(16)18-14-20(11)5-6-22-14/h2-6H,7H2,1H3
InChIKeyYIBBTTIHYRXEOY-UHFFFAOYSA-N
XLogP4.11
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.23
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 115496956
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-pyrazol-1-ylbenzamide
CID 9171384
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 4878432
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 18090221
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylnaphthalene-1-carboxamide
CID 18112160
3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide
CID 43470580
4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethylthiophene-2-carboxamide
CID 61114856
N-[(2-chloro-6-fluorophenyl)methyl]-5-iodo-N-methylthiophene-3-carboxamide
CID 78949110
N-[(2-chloro-6-fluorophenyl)methyl]-5-hydroxy-N-methylpentanamide
CID 79199252
4-N-[(2-chloro-6-fluorophenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 39910131
6-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylhexanamide
CID 54869007

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of 6-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 16605035) is 6-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 6-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for 6-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is CN(Cc1c(F)cccc1Cl)C(=O)c1c(Cl)nc2sccn12.
What is the InChIKey of 6-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is YIBBTTIHYRXEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2FN3OS/c1-19(7-8-9(15)3-2-4-10(8)17)13(21)11-12(16)18-14-20(11)5-6-22-14/h2-6H,7H2,1H3.
What are the key properties of 6-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
6-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 358.23 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 16605035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).