N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-6-ethoxypyridine-3-carboxamide

C19H16N4O2S — CID 78886727

IUPACN-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-6-ethoxypyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cn1
InChIInChI=1S/C19H16N4O2S/c1-2-25-17-8-7-15(11-21-17)18(24)23-19-22-12-16(26-19)9-13-3-5-14(10-20)6-4-13/h3-8,11-12H,2,9H2,1H3,(H,22,23,24)
InChIKeyKSTOYHAUAMQDFJ-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.65
Rot. Bonds6

About N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-6-ethoxypyridine-3-carboxamide

N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-6-ethoxypyridine-3-carboxamide (PubChem CID 78886727) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-6-ethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-6-ethoxypyridine-3-carboxamide
PubChem CID78886727
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC NameN-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-6-ethoxypyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cn1
InChIInChI=1S/C19H16N4O2S/c1-2-25-17-8-7-15(11-21-17)18(24)23-19-22-12-16(26-19)9-13-3-5-14(10-20)6-4-13/h3-8,11-12H,2,9H2,1H3,(H,22,23,24)
InChIKeyKSTOYHAUAMQDFJ-UHFFFAOYSA-N
XLogP3.65
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-4-[ethyl(methyl)amino]benzamide
CID 86850729
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-methylbenzamide
CID 86920236
4-ethoxy-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 4684424
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-(methoxymethyl)benzamide
CID 86920266
N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-cyanobenzamide
CID 52648387
4-ethyl-N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 18876296
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 44544991
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 78886729
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide
CID 86920255
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-ethoxybenzamide
CID 5025499
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 30291826
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 155153155

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-6-ethoxypyridine-3-carboxamide?
The IUPAC name of N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-6-ethoxypyridine-3-carboxamide (CID 78886727) is N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-6-ethoxypyridine-3-carboxamide.
What is the SMILES notation for N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-6-ethoxypyridine-3-carboxamide?
The canonical SMILES for N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-6-ethoxypyridine-3-carboxamide is CCOc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cn1.
What is the InChIKey of N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-6-ethoxypyridine-3-carboxamide?
The InChIKey is KSTOYHAUAMQDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-2-25-17-8-7-15(11-21-17)18(24)23-19-22-12-16(26-19)9-13-3-5-14(10-20)6-4-13/h3-8,11-12H,2,9H2,1H3,(H,22,23,24).
What are the key properties of N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-6-ethoxypyridine-3-carboxamide?
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-6-ethoxypyridine-3-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-6-ethoxypyridine-3-carboxamide is sourced from PubChem (CID 78886727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).