N-(4-phenyl-1,3-thiazol-2-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide

C18H15N3OS — CID 155517058

IUPACN-(4-phenyl-1,3-thiazol-2-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide
SMILESC=CC(=O)N(Cc1cccnc1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H15N3OS/c1-2-17(22)21(12-14-7-6-10-19-11-14)18-20-16(13-23-18)15-8-4-3-5-9-15/h2-11,13H,1,12H2
InChIKeyLJBCAPRGGZPPHM-UHFFFAOYSA-N
MW321.41 g/mol
LogP3.92
Rot. Bonds5

About N-(4-phenyl-1,3-thiazol-2-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide

N-(4-phenyl-1,3-thiazol-2-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide (PubChem CID 155517058) has the molecular formula C18H15N3OS and a molecular weight of 321.41 g/mol. Its IUPAC name is N-(4-phenyl-1,3-thiazol-2-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-phenyl-1,3-thiazol-2-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide
PubChem CID155517058
Molecular FormulaC18H15N3OS
Molecular Weight321.41 g/mol
Exact Mass321.09
IUPAC NameN-(4-phenyl-1,3-thiazol-2-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide
SMILESC=CC(=O)N(Cc1cccnc1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H15N3OS/c1-2-17(22)21(12-14-7-6-10-19-11-14)18-20-16(13-23-18)15-8-4-3-5-9-15/h2-11,13H,1,12H2
InChIKeyLJBCAPRGGZPPHM-UHFFFAOYSA-N
XLogP3.92
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Stf-62247
CID 704473
N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 790259
N4-benzyl-2-(3-pyridyl)-1,3-thiazole-4-carboxamide
CID 2824333
(4-Phenyl-thiazol-2-yl)-pyridin-2-yl-amine
CID 750531
Acetamide, N-[4-[2-(2-pyridinylamino)-4-thiazolyl]phenyl]-
CID 973066
3-Pyridinecarboxamide, N-(4-phenyl-2-thiazolyl)-
CID 203433
N-(2-ethylphenyl)-4-(pyridin-3-yl)-1,3-thiazol-2-amine
CID 746667
N-(4-Pyridin-2-yl-thiazol-2-yl)-benzamide
CID 4119262
3-[4-(Pyridin-4-yl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroquinazolin-2-one
CID 10403012
3-[4-(Pyridin-3-yl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroquinazolin-2-one
CID 10425386
3-[2-(Pyridin-4-yl)-1,3-thiazol-4-yl]-1,2,3,4-tetrahydroquinazolin-2-one
CID 11722798
3-[2-(2-Ethylpyridin-4-yl)-1,3-thiazol-4-yl]-1,2,3,4-tetrahydroquinazolin-2-one
CID 21928512

Frequently Asked Questions

What is the IUPAC name of N-(4-phenyl-1,3-thiazol-2-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide?
The IUPAC name of N-(4-phenyl-1,3-thiazol-2-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide (CID 155517058) is N-(4-phenyl-1,3-thiazol-2-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide.
What is the SMILES notation for N-(4-phenyl-1,3-thiazol-2-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide?
The canonical SMILES for N-(4-phenyl-1,3-thiazol-2-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide is C=CC(=O)N(Cc1cccnc1)c1nc(-c2ccccc2)cs1.
What is the InChIKey of N-(4-phenyl-1,3-thiazol-2-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide?
The InChIKey is LJBCAPRGGZPPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS/c1-2-17(22)21(12-14-7-6-10-19-11-14)18-20-16(13-23-18)15-8-4-3-5-9-15/h2-11,13H,1,12H2.
What are the key properties of N-(4-phenyl-1,3-thiazol-2-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide?
N-(4-phenyl-1,3-thiazol-2-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide has a molecular weight of 321.41 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenyl-1,3-thiazol-2-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide is sourced from PubChem (CID 155517058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).