N-[4-(4-methoxyphenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]pyridine-3-carboxamide

C18H17N3O2S — CID 838621

IUPACN-[4-(4-methoxyphenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]pyridine-3-carboxamide
SMILESCOc1ccc(-c2c(C)s/c(=N\C(=O)c3cccnc3)n2C)cc1
InChIInChI=1S/C18H17N3O2S/c1-12-16(13-6-8-15(23-3)9-7-13)21(2)18(24-12)20-17(22)14-5-4-10-19-11-14/h4-11H,1-3H3/b20-18-
InChIKeyBBTPUMCMSIZSGZ-ZZEZOPTASA-N
MW339.42 g/mol
LogP3.21
Rot. Bonds3

About N-[4-(4-methoxyphenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]pyridine-3-carboxamide

N-[4-(4-methoxyphenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]pyridine-3-carboxamide (PubChem CID 838621) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]pyridine-3-carboxamide
PubChem CID838621
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-[4-(4-methoxyphenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]pyridine-3-carboxamide
SMILESCOc1ccc(-c2c(C)s/c(=N\C(=O)c3cccnc3)n2C)cc1
InChIInChI=1S/C18H17N3O2S/c1-12-16(13-6-8-15(23-3)9-7-13)21(2)18(24-12)20-17(22)14-5-4-10-19-11-14/h4-11H,1-3H3/b20-18-
InChIKeyBBTPUMCMSIZSGZ-ZZEZOPTASA-N
XLogP3.21
TPSA56.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-fluorophenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]-3-methoxybenzamide
CID 1021952
3,4-dimethoxy-N-[4-(4-methoxyphenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]benzamide
CID 1021951
N-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]pyridine-3-carboxamide
CID 3448125
N-(5-ethyl-3-methyl-4-phenyl-1,3-thiazol-2-ylidene)pyridine-3-carboxamide
CID 4995666
4-(4-methoxyphenyl)-N,3,5-trimethyl-1,3-thiazol-2-imine
CID 31060825
N-[4-(4-ethoxyphenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]-3,4,5-trimethoxybenzamide
CID 3335593
N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-3-chlorobenzamide
CID 126203998
N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-4-fluorobenzamide
CID 126203694
N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-4-bromobenzamide
CID 126204701
4-butoxy-N-[4-(4-chlorophenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]benzamide
CID 126211698
N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-3-bromo-4-methoxybenzamide
CID 126200149
N-[3-methyl-5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-ylidene]pyridine-3-carboxamide
CID 59866084

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]pyridine-3-carboxamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]pyridine-3-carboxamide (CID 838621) is N-[4-(4-methoxyphenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]pyridine-3-carboxamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]pyridine-3-carboxamide is COc1ccc(-c2c(C)s/c(=N\C(=O)c3cccnc3)n2C)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]pyridine-3-carboxamide?
The InChIKey is BBTPUMCMSIZSGZ-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-12-16(13-6-8-15(23-3)9-7-13)21(2)18(24-12)20-17(22)14-5-4-10-19-11-14/h4-11H,1-3H3/b20-18-.
What are the key properties of N-[4-(4-methoxyphenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]pyridine-3-carboxamide?
N-[4-(4-methoxyphenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]pyridine-3-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]pyridine-3-carboxamide is sourced from PubChem (CID 838621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).