3-[2-(2-ethyl-4-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N,N-dimethylprop-2-enamide

C16H19N3OS — CID 68941268

IUPAC3-[2-(2-ethyl-4-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N,N-dimethylprop-2-enamide
SMILESCCc1cc(-c2nc(C)c(C=CC(=O)N(C)C)s2)ccn1
InChIInChI=1S/C16H19N3OS/c1-5-13-10-12(8-9-17-13)16-18-11(2)14(21-16)6-7-15(20)19(3)4/h6-10H,5H2,1-4H3
InChIKeyKEOSLPQPPQRBDI-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.18
Rot. Bonds4

About 3-[2-(2-ethyl-4-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N,N-dimethylprop-2-enamide

3-[2-(2-ethyl-4-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N,N-dimethylprop-2-enamide (PubChem CID 68941268) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 3-[2-(2-ethyl-4-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N,N-dimethylprop-2-enamide.

Molecular Properties

Compound Name3-[2-(2-ethyl-4-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N,N-dimethylprop-2-enamide
PubChem CID68941268
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name3-[2-(2-ethyl-4-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N,N-dimethylprop-2-enamide
SMILESCCc1cc(-c2nc(C)c(C=CC(=O)N(C)C)s2)ccn1
InChIInChI=1S/C16H19N3OS/c1-5-13-10-12(8-9-17-13)16-18-11(2)14(21-16)6-7-15(20)19(3)4/h6-10H,5H2,1-4H3
InChIKeyKEOSLPQPPQRBDI-UHFFFAOYSA-N
XLogP3.18
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.18
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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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-ethyl-4-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N,N-dimethylprop-2-enamide?
The IUPAC name of 3-[2-(2-ethyl-4-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N,N-dimethylprop-2-enamide (CID 68941268) is 3-[2-(2-ethyl-4-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N,N-dimethylprop-2-enamide.
What is the SMILES notation for 3-[2-(2-ethyl-4-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N,N-dimethylprop-2-enamide?
The canonical SMILES for 3-[2-(2-ethyl-4-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N,N-dimethylprop-2-enamide is CCc1cc(-c2nc(C)c(C=CC(=O)N(C)C)s2)ccn1.
What is the InChIKey of 3-[2-(2-ethyl-4-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N,N-dimethylprop-2-enamide?
The InChIKey is KEOSLPQPPQRBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-5-13-10-12(8-9-17-13)16-18-11(2)14(21-16)6-7-15(20)19(3)4/h6-10H,5H2,1-4H3.
What are the key properties of 3-[2-(2-ethyl-4-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N,N-dimethylprop-2-enamide?
3-[2-(2-ethyl-4-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N,N-dimethylprop-2-enamide has a molecular weight of 301.42 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-ethyl-4-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N,N-dimethylprop-2-enamide is sourced from PubChem (CID 68941268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).