N-(5-ethyl-3-methyl-4-phenyl-1,3-thiazol-2-ylidene)pyridine-3-carboxamide

C18H17N3OS — CID 4995666

IUPACN-(5-ethyl-3-methyl-4-phenyl-1,3-thiazol-2-ylidene)pyridine-3-carboxamide
SMILESCCc1s/c(=N\C(=O)c2cccnc2)n(C)c1-c1ccccc1
InChIInChI=1S/C18H17N3OS/c1-3-15-16(13-8-5-4-6-9-13)21(2)18(23-15)20-17(22)14-10-7-11-19-12-14/h4-12H,3H2,1-2H3/b20-18-
InChIKeyQHFUENGGZFACII-ZZEZOPTASA-N
MW323.42 g/mol
LogP3.45
Rot. Bonds3

About N-(5-ethyl-3-methyl-4-phenyl-1,3-thiazol-2-ylidene)pyridine-3-carboxamide

N-(5-ethyl-3-methyl-4-phenyl-1,3-thiazol-2-ylidene)pyridine-3-carboxamide (PubChem CID 4995666) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is N-(5-ethyl-3-methyl-4-phenyl-1,3-thiazol-2-ylidene)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-3-methyl-4-phenyl-1,3-thiazol-2-ylidene)pyridine-3-carboxamide
PubChem CID4995666
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC NameN-(5-ethyl-3-methyl-4-phenyl-1,3-thiazol-2-ylidene)pyridine-3-carboxamide
SMILESCCc1s/c(=N\C(=O)c2cccnc2)n(C)c1-c1ccccc1
InChIInChI=1S/C18H17N3OS/c1-3-15-16(13-8-5-4-6-9-13)21(2)18(23-15)20-17(22)14-10-7-11-19-12-14/h4-12H,3H2,1-2H3/b20-18-
InChIKeyQHFUENGGZFACII-ZZEZOPTASA-N
XLogP3.45
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Related Compounds

N-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]pyridine-3-carboxamide
CID 3448125
N-[4-(4-methoxyphenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]pyridine-3-carboxamide
CID 838621
N-[3-methyl-5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-ylidene]pyridine-3-carboxamide
CID 59866084
4-butoxy-N-[5-ethyl-4-(4-fluorophenyl)-3-methyl-1,3-thiazol-2-ylidene]benzamide
CID 126212851
N-sulfanylidenepyridine-3-carboxamide
CID 23289350
1-phenyl-2-pyridin-3-ylethane-1,2-dione
CID 10987556
N-[3-(2-hydroxyethyl)-4,5-diphenyl-1,3-thiazol-2-ylidene]benzamide
CID 1008314
5-chloro-N-[5-ethyl-4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-2-methoxybenzamide
CID 126205417
2-chloro-N-[5-ethyl-4-(4-fluorophenyl)-3-methyl-1,3-thiazol-2-ylidene]-4-nitrobenzamide
CID 126202750
iodoethane;pyridine-3-carboxylic acid
CID 158495952
2-(4-phenyl-1,3-thiazol-2-yl)-1-pyridin-3-ylethanone
CID 112731528
N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]pyridine-3-carboxamide
CID 3909937

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-3-methyl-4-phenyl-1,3-thiazol-2-ylidene)pyridine-3-carboxamide?
The IUPAC name of N-(5-ethyl-3-methyl-4-phenyl-1,3-thiazol-2-ylidene)pyridine-3-carboxamide (CID 4995666) is N-(5-ethyl-3-methyl-4-phenyl-1,3-thiazol-2-ylidene)pyridine-3-carboxamide.
What is the SMILES notation for N-(5-ethyl-3-methyl-4-phenyl-1,3-thiazol-2-ylidene)pyridine-3-carboxamide?
The canonical SMILES for N-(5-ethyl-3-methyl-4-phenyl-1,3-thiazol-2-ylidene)pyridine-3-carboxamide is CCc1s/c(=N\C(=O)c2cccnc2)n(C)c1-c1ccccc1.
What is the InChIKey of N-(5-ethyl-3-methyl-4-phenyl-1,3-thiazol-2-ylidene)pyridine-3-carboxamide?
The InChIKey is QHFUENGGZFACII-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H17N3OS/c1-3-15-16(13-8-5-4-6-9-13)21(2)18(23-15)20-17(22)14-10-7-11-19-12-14/h4-12H,3H2,1-2H3/b20-18-.
What are the key properties of N-(5-ethyl-3-methyl-4-phenyl-1,3-thiazol-2-ylidene)pyridine-3-carboxamide?
N-(5-ethyl-3-methyl-4-phenyl-1,3-thiazol-2-ylidene)pyridine-3-carboxamide has a molecular weight of 323.42 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-3-methyl-4-phenyl-1,3-thiazol-2-ylidene)pyridine-3-carboxamide is sourced from PubChem (CID 4995666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).