2,2-dimethyl-N-[4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]propanamide

C19H19N3OS — CID 9356429

IUPAC2,2-dimethyl-N-[4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1ccc(-c2csc(-c3ccccn3)n2)cc1
InChIInChI=1S/C19H19N3OS/c1-19(2,3)18(23)21-14-9-7-13(8-10-14)16-12-24-17(22-16)15-6-4-5-11-20-15/h4-12H,1-3H3,(H,21,23)
InChIKeyLECHXDMFSOLSMN-UHFFFAOYSA-N
MW337.45 g/mol
LogP4.86
Rot. Bonds3

About 2,2-dimethyl-N-[4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]propanamide

2,2-dimethyl-N-[4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]propanamide (PubChem CID 9356429) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]propanamide
PubChem CID9356429
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name2,2-dimethyl-N-[4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1ccc(-c2csc(-c3ccccn3)n2)cc1
InChIInChI=1S/C19H19N3OS/c1-19(2,3)18(23)21-14-9-7-13(8-10-14)16-12-24-17(22-16)15-6-4-5-11-20-15/h4-12H,1-3H3,(H,21,23)
InChIKeyLECHXDMFSOLSMN-UHFFFAOYSA-N
XLogP4.86
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 4822806
2,2-dimethyl-N-[4-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]propanamide
CID 122154728
N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,2-dimethylpropanamide
CID 101177387
N-[2-hydroxy-5-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 135705051
N-(4-acetamidophenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 48845320
N-[4-[2-(2-amino-2-oxoethyl)-1,3-thiazol-4-yl]phenyl]-2,2-dimethylpropanamide
CID 9174046
[4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]boronic acid
CID 99738175
N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyridine-2-carboxamide
CID 108748434
2-pyridin-2-yl-4-(2-pyridin-2-yl-1,3-thiazol-4-yl)-1,3-thiazole
CID 15542721
N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108748438
4-phenyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108770359
N-[4-[2-[4-(2,2-dimethylpropanoylamino)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide
CID 23856573

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]propanamide (CID 9356429) is 2,2-dimethyl-N-[4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]propanamide is CC(C)(C)C(=O)Nc1ccc(-c2csc(-c3ccccn3)n2)cc1.
What is the InChIKey of 2,2-dimethyl-N-[4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]propanamide?
The InChIKey is LECHXDMFSOLSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-19(2,3)18(23)21-14-9-7-13(8-10-14)16-12-24-17(22-16)15-6-4-5-11-20-15/h4-12H,1-3H3,(H,21,23).
What are the key properties of 2,2-dimethyl-N-[4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]propanamide?
2,2-dimethyl-N-[4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]propanamide has a molecular weight of 337.45 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]propanamide is sourced from PubChem (CID 9356429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).