N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide

C18H19N3O2S — CID 99697971

IUPACN-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1cc(O)c(C(C)C)cc1NC(=O)c1cnc2snc(C)c2c1
InChIInChI=1S/C18H19N3O2S/c1-9(2)13-7-15(10(3)5-16(13)22)20-17(23)12-6-14-11(4)21-24-18(14)19-8-12/h5-9,22H,1-4H3,(H,20,23)
InChIKeyKOBAAJQCRAYPHK-UHFFFAOYSA-N
MW341.44 g/mol
LogP4.39
Rot. Bonds3

About N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide

N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 99697971) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide
PubChem CID99697971
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1cc(O)c(C(C)C)cc1NC(=O)c1cnc2snc(C)c2c1
InChIInChI=1S/C18H19N3O2S/c1-9(2)13-7-15(10(3)5-16(13)22)20-17(23)12-6-14-11(4)21-24-18(14)19-8-12/h5-9,22H,1-4H3,(H,20,23)
InChIKeyKOBAAJQCRAYPHK-UHFFFAOYSA-N
XLogP4.39
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 706309
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CID 19474826
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)propanamide
CID 2223120
2,6-difluoro-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzamide
CID 138811101
1,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)thiourea
CID 3757180
4-(azepan-1-ylsulfonyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzamide
CID 146091361
4-chloro-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19266753
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methylsulfanylthiophene-2-carboxamide
CID 75430929
5,6-dichloro-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-3-carboxamide
CID 106834615
1-(difluoromethyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 19268513
4-(hydroxyamino)-5-methyl-2-propan-2-ylphenol
CID 51003755
5-methyl-4-(methylamino)-2-propan-2-ylphenol
CID 82266002

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide (CID 99697971) is N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide is Cc1cc(O)c(C(C)C)cc1NC(=O)c1cnc2snc(C)c2c1.
What is the InChIKey of N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is KOBAAJQCRAYPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-9(2)13-7-15(10(3)5-16(13)22)20-17(23)12-6-14-11(4)21-24-18(14)19-8-12/h5-9,22H,1-4H3,(H,20,23).
What are the key properties of N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide?
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 99697971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).