2-[(4-chlorophenoxy)methyl]-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide

C20H17ClN4O2S — CID 55532130

IUPAC2-[(4-chlorophenoxy)methyl]-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCCc1cn2ccccc2n1)c1csc(COc2ccc(Cl)cc2)n1
InChIInChI=1S/C20H17ClN4O2S/c21-14-4-6-16(7-5-14)27-12-19-24-17(13-28-19)20(26)22-9-8-15-11-25-10-2-1-3-18(25)23-15/h1-7,10-11,13H,8-9,12H2,(H,22,26)
InChIKeyBCICDUAGQYMBQN-UHFFFAOYSA-N
MW412.90 g/mol
LogP4.00
Rot. Bonds7

About 2-[(4-chlorophenoxy)methyl]-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide

2-[(4-chlorophenoxy)methyl]-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide (PubChem CID 55532130) has the molecular formula C20H17ClN4O2S and a molecular weight of 412.90 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide
PubChem CID55532130
Molecular FormulaC20H17ClN4O2S
Molecular Weight412.90 g/mol
Exact Mass412.08
IUPAC Name2-[(4-chlorophenoxy)methyl]-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCCc1cn2ccccc2n1)c1csc(COc2ccc(Cl)cc2)n1
InChIInChI=1S/C20H17ClN4O2S/c21-14-4-6-16(7-5-14)27-12-19-24-17(13-28-19)20(26)22-9-8-15-11-25-10-2-1-3-18(25)23-15/h1-7,10-11,13H,8-9,12H2,(H,22,26)
InChIKeyBCICDUAGQYMBQN-UHFFFAOYSA-N
XLogP4.00
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.90
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-chlorophenoxy)methyl]-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 39897975
2-(4-chlorophenoxy)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide
CID 8917153
5-chloro-2-fluoro-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide
CID 25430229
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)thiophene-3-carboxamide
CID 32834557
2-[(4-chlorophenoxy)methyl]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 56559392
methyl 6-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)pyridine-3-carboxylate
CID 32938785
2-[(4-chlorophenoxy)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 37155823
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-methylthiophene-2-carboxamide
CID 31008232
2-(4-ethoxyphenoxy)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)acetamide
CID 42017579
2-[(4-chlorophenoxy)methyl]-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-1,3-thiazole-4-carboxamide
CID 55767254
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 55978359
2-(2,4-dichlorophenoxy)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)acetamide
CID 25429007

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide (CID 55532130) is 2-[(4-chlorophenoxy)methyl]-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide is O=C(NCCc1cn2ccccc2n1)c1csc(COc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is BCICDUAGQYMBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2S/c21-14-4-6-16(7-5-14)27-12-19-24-17(13-28-19)20(26)22-9-8-15-11-25-10-2-1-3-18(25)23-15/h1-7,10-11,13H,8-9,12H2,(H,22,26).
What are the key properties of 2-[(4-chlorophenoxy)methyl]-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide?
2-[(4-chlorophenoxy)methyl]-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 412.90 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenoxy)methyl]-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55532130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).