N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(5-hydroxy-4-methyl-5H-imidazo[4,5-b]pyridin-1-yl)acetamide

C18H16ClN5O2S — CID 134544863

IUPACN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(5-hydroxy-4-methyl-5H-imidazo[4,5-b]pyridin-1-yl)acetamide
SMILESCN1c2ncn(CC(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)c2C=CC1O
InChIInChI=1S/C18H16ClN5O2S/c1-23-16(26)7-6-14-17(23)20-10-24(14)8-15(25)22-18-21-13(9-27-18)11-2-4-12(19)5-3-11/h2-7,9-10,16,26H,8H2,1H3,(H,21,22,25)
InChIKeyUETBBRUGQNBMIM-UHFFFAOYSA-N
MW401.88 g/mol
LogP3.08
Rot. Bonds4

About N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(5-hydroxy-4-methyl-5H-imidazo[4,5-b]pyridin-1-yl)acetamide

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(5-hydroxy-4-methyl-5H-imidazo[4,5-b]pyridin-1-yl)acetamide (PubChem CID 134544863) has the molecular formula C18H16ClN5O2S and a molecular weight of 401.88 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(5-hydroxy-4-methyl-5H-imidazo[4,5-b]pyridin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(5-hydroxy-4-methyl-5H-imidazo[4,5-b]pyridin-1-yl)acetamide
PubChem CID134544863
Molecular FormulaC18H16ClN5O2S
Molecular Weight401.88 g/mol
Exact Mass401.07
IUPAC NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(5-hydroxy-4-methyl-5H-imidazo[4,5-b]pyridin-1-yl)acetamide
SMILESCN1c2ncn(CC(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)c2C=CC1O
InChIInChI=1S/C18H16ClN5O2S/c1-23-16(26)7-6-14-17(23)20-10-24(14)8-15(25)22-18-21-13(9-27-18)11-2-4-12(19)5-3-11/h2-7,9-10,16,26H,8H2,1H3,(H,21,22,25)
InChIKeyUETBBRUGQNBMIM-UHFFFAOYSA-N
XLogP3.08
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.88
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(5-hydroxy-4-methyl-5H-imidazo[4,5-b]pyridin-1-yl)acetamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(5-hydroxy-4-methyl-5H-imidazo[4,5-b]pyridin-1-yl)acetamide (CID 134544863) is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(5-hydroxy-4-methyl-5H-imidazo[4,5-b]pyridin-1-yl)acetamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(5-hydroxy-4-methyl-5H-imidazo[4,5-b]pyridin-1-yl)acetamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(5-hydroxy-4-methyl-5H-imidazo[4,5-b]pyridin-1-yl)acetamide is CN1c2ncn(CC(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)c2C=CC1O.
What is the InChIKey of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(5-hydroxy-4-methyl-5H-imidazo[4,5-b]pyridin-1-yl)acetamide?
The InChIKey is UETBBRUGQNBMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O2S/c1-23-16(26)7-6-14-17(23)20-10-24(14)8-15(25)22-18-21-13(9-27-18)11-2-4-12(19)5-3-11/h2-7,9-10,16,26H,8H2,1H3,(H,21,22,25).
What are the key properties of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(5-hydroxy-4-methyl-5H-imidazo[4,5-b]pyridin-1-yl)acetamide?
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(5-hydroxy-4-methyl-5H-imidazo[4,5-b]pyridin-1-yl)acetamide has a molecular weight of 401.88 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(5-hydroxy-4-methyl-5H-imidazo[4,5-b]pyridin-1-yl)acetamide is sourced from PubChem (CID 134544863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).