6-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyridine-3-carboxamide

C19H17N3O2S — CID 134016011

IUPAC6-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCN(C(=O)c1ccc(OC)nc1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H17N3O2S/c1-3-11-22(18(23)15-9-10-17(24-2)20-12-15)19-21-16(13-25-19)14-7-5-4-6-8-14/h3-10,12-13H,1,11H2,2H3
InChIKeyRUIBTBMGJFIFOM-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.05
Rot. Bonds6

About 6-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyridine-3-carboxamide

6-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyridine-3-carboxamide (PubChem CID 134016011) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is 6-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyridine-3-carboxamide
PubChem CID134016011
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC Name6-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCN(C(=O)c1ccc(OC)nc1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H17N3O2S/c1-3-11-22(18(23)15-9-10-17(24-2)20-12-15)19-21-16(13-25-19)14-7-5-4-6-8-14/h3-10,12-13H,1,11H2,2H3
InChIKeyRUIBTBMGJFIFOM-UHFFFAOYSA-N
XLogP4.05
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 2675968
4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 2675971
methyl N-[4-[(4-phenyl-1,3-thiazol-2-yl)-prop-2-enylcarbamoyl]phenyl]carbamate
CID 39992831
6-(3,5-dimethylpyrazol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyridine-3-carboxamide
CID 43069032
2-(2-methoxyphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide
CID 8840087
3,5-difluoro-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 8840086
4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 24591343
2-(4-methoxyphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide
CID 2675972
3-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 3298434
methyl 3-nitro-5-[(4-phenyl-1,3-thiazol-2-yl)-prop-2-enylcarbamoyl]benzoate
CID 26212430
4-(2,5-dioxopyrrolidin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 29441723
3-benzamido-4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 55630363

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of 6-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyridine-3-carboxamide (CID 134016011) is 6-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for 6-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyridine-3-carboxamide is C=CCN(C(=O)c1ccc(OC)nc1)c1nc(-c2ccccc2)cs1.
What is the InChIKey of 6-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyridine-3-carboxamide?
The InChIKey is RUIBTBMGJFIFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-3-11-22(18(23)15-9-10-17(24-2)20-12-15)19-21-16(13-25-19)14-7-5-4-6-8-14/h3-10,12-13H,1,11H2,2H3.
What are the key properties of 6-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyridine-3-carboxamide?
6-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyridine-3-carboxamide has a molecular weight of 351.43 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 134016011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).