4-(2-methoxy-5-methylphenyl)-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide

C20H19N3O3S — CID 108744443

IUPAC4-(2-methoxy-5-methylphenyl)-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide
SMILESCOc1ccc(C)cc1C(=O)CCC(=O)Nc1nc(-c2ccccn2)cs1
InChIInChI=1S/C20H19N3O3S/c1-13-6-8-18(26-2)14(11-13)17(24)7-9-19(25)23-20-22-16(12-27-20)15-5-3-4-10-21-15/h3-6,8,10-12H,7,9H2,1-2H3,(H,22,23,25)
InChIKeyWUNPAKLQTTYGTA-UHFFFAOYSA-N
MW381.46 g/mol
LogP4.12
Rot. Bonds7

About 4-(2-methoxy-5-methylphenyl)-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide

4-(2-methoxy-5-methylphenyl)-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide (PubChem CID 108744443) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 4-(2-methoxy-5-methylphenyl)-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(2-methoxy-5-methylphenyl)-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide
PubChem CID108744443
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name4-(2-methoxy-5-methylphenyl)-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide
SMILESCOc1ccc(C)cc1C(=O)CCC(=O)Nc1nc(-c2ccccn2)cs1
InChIInChI=1S/C20H19N3O3S/c1-13-6-8-18(26-2)14(11-13)17(24)7-9-19(25)23-20-22-16(12-27-20)15-5-3-4-10-21-15/h3-6,8,10-12H,7,9H2,1-2H3,(H,22,23,25)
InChIKeyWUNPAKLQTTYGTA-UHFFFAOYSA-N
XLogP4.12
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(2-methoxy-5-methylphenyl)-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide with MolForge

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Related Compounds

4-(4-methylphenyl)-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide
CID 51154196
4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide
CID 41164474
2-(2,4-dimethylphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 24982533
4-(2-methoxy-5-methylphenyl)-4-oxo-N-pyridin-2-ylbutanamide
CID 35035900
2-(2,5-dimethylphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 2660521
N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 4011297
4-methoxy-1-methyl-6-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 91813993
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-phenoxybutanamide
CID 37010082
3-phenoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 4109767
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-5-oxo-5-thiophen-2-ylpentanamide
CID 32649718
4-(2-methoxy-5-methylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxobutanamide
CID 108796089
N-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2-methylbenzamide
CID 26723816

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-5-methylphenyl)-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-(2-methoxy-5-methylphenyl)-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide (CID 108744443) is 4-(2-methoxy-5-methylphenyl)-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-(2-methoxy-5-methylphenyl)-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-(2-methoxy-5-methylphenyl)-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide is COc1ccc(C)cc1C(=O)CCC(=O)Nc1nc(-c2ccccn2)cs1.
What is the InChIKey of 4-(2-methoxy-5-methylphenyl)-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide?
The InChIKey is WUNPAKLQTTYGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-13-6-8-18(26-2)14(11-13)17(24)7-9-19(25)23-20-22-16(12-27-20)15-5-3-4-10-21-15/h3-6,8,10-12H,7,9H2,1-2H3,(H,22,23,25).
What are the key properties of 4-(2-methoxy-5-methylphenyl)-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide?
4-(2-methoxy-5-methylphenyl)-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide has a molecular weight of 381.46 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-5-methylphenyl)-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 108744443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).