N-(5-benzyl-1,3-thiazol-2-yl)-2-cyclobutyloxypyridine-4-carboxamide

C20H19N3O2S — CID 71906930

IUPACN-(5-benzyl-1,3-thiazol-2-yl)-2-cyclobutyloxypyridine-4-carboxamide
SMILESO=C(Nc1ncc(Cc2ccccc2)s1)c1ccnc(OC2CCC2)c1
InChIInChI=1S/C20H19N3O2S/c24-19(15-9-10-21-18(12-15)25-16-7-4-8-16)23-20-22-13-17(26-20)11-14-5-2-1-3-6-14/h1-3,5-6,9-10,12-13,16H,4,7-8,11H2,(H,22,23,24)
InChIKeyAZICGVOLLQCERT-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.31
Rot. Bonds6

About N-(5-benzyl-1,3-thiazol-2-yl)-2-cyclobutyloxypyridine-4-carboxamide

N-(5-benzyl-1,3-thiazol-2-yl)-2-cyclobutyloxypyridine-4-carboxamide (PubChem CID 71906930) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-(5-benzyl-1,3-thiazol-2-yl)-2-cyclobutyloxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3-thiazol-2-yl)-2-cyclobutyloxypyridine-4-carboxamide
PubChem CID71906930
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC NameN-(5-benzyl-1,3-thiazol-2-yl)-2-cyclobutyloxypyridine-4-carboxamide
SMILESO=C(Nc1ncc(Cc2ccccc2)s1)c1ccnc(OC2CCC2)c1
InChIInChI=1S/C20H19N3O2S/c24-19(15-9-10-21-18(12-15)25-16-7-4-8-16)23-20-22-13-17(26-20)11-14-5-2-1-3-6-14/h1-3,5-6,9-10,12-13,16H,4,7-8,11H2,(H,22,23,24)
InChIKeyAZICGVOLLQCERT-UHFFFAOYSA-N
XLogP4.31
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-benzyl-1,3-thiazol-2-yl)-3-methoxybenzamide
CID 37035111
N-(5-benzyl-1,3-thiazol-2-yl)-3,5-dimethoxybenzamide
CID 52896563
2-benzyl-3-[(2-cyclobutyloxypyridine-4-carbonyl)amino]propanoic acid
CID 120525108
2-cyclopentyloxy-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 91815462
N-(5-benzyl-1,3-thiazol-2-yl)-3-nitrobenzamide
CID 723009
N-(5-benzyl-1,3-thiazol-2-yl)-3-(pyrazol-1-ylmethyl)benzamide
CID 46971236
N-(5-methyl-1,3-thiazol-2-yl)-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100735077
N-(5-benzyl-1,3-thiazol-2-yl)-4-propoxybenzamide
CID 4270963
(1R)-N-(5-benzyl-1,3-thiazol-2-yl)cyclohex-3-ene-1-carboxamide
CID 9171281
1-(5-benzyl-1,3-thiazol-2-yl)-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 99837165
4-[2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]ethyl]benzoic acid
CID 120512957
4-[(2-cyclobutyloxypyridine-4-carbonyl)amino]-4-phenylbutanoic acid
CID 120518914

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-2-cyclobutyloxypyridine-4-carboxamide?
The IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-2-cyclobutyloxypyridine-4-carboxamide (CID 71906930) is N-(5-benzyl-1,3-thiazol-2-yl)-2-cyclobutyloxypyridine-4-carboxamide.
What is the SMILES notation for N-(5-benzyl-1,3-thiazol-2-yl)-2-cyclobutyloxypyridine-4-carboxamide?
The canonical SMILES for N-(5-benzyl-1,3-thiazol-2-yl)-2-cyclobutyloxypyridine-4-carboxamide is O=C(Nc1ncc(Cc2ccccc2)s1)c1ccnc(OC2CCC2)c1.
What is the InChIKey of N-(5-benzyl-1,3-thiazol-2-yl)-2-cyclobutyloxypyridine-4-carboxamide?
The InChIKey is AZICGVOLLQCERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c24-19(15-9-10-21-18(12-15)25-16-7-4-8-16)23-20-22-13-17(26-20)11-14-5-2-1-3-6-14/h1-3,5-6,9-10,12-13,16H,4,7-8,11H2,(H,22,23,24).
What are the key properties of N-(5-benzyl-1,3-thiazol-2-yl)-2-cyclobutyloxypyridine-4-carboxamide?
N-(5-benzyl-1,3-thiazol-2-yl)-2-cyclobutyloxypyridine-4-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3-thiazol-2-yl)-2-cyclobutyloxypyridine-4-carboxamide is sourced from PubChem (CID 71906930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).