2-phenyl-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]butanamide

C20H20N2OS — CID 71801670

IUPAC2-phenyl-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]butanamide
SMILESCCC(C(=O)NCc1ccc(-c2nccs2)cc1)c1ccccc1
InChIInChI=1S/C20H20N2OS/c1-2-18(16-6-4-3-5-7-16)19(23)22-14-15-8-10-17(11-9-15)20-21-12-13-24-20/h3-13,18H,2,14H2,1H3,(H,22,23)
InChIKeyRIYWVMWWGIDHBP-UHFFFAOYSA-N
MW336.46 g/mol
LogP4.62
Rot. Bonds6

About 2-phenyl-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]butanamide

2-phenyl-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]butanamide (PubChem CID 71801670) has the molecular formula C20H20N2OS and a molecular weight of 336.46 g/mol. Its IUPAC name is 2-phenyl-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name2-phenyl-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]butanamide
PubChem CID71801670
Molecular FormulaC20H20N2OS
Molecular Weight336.46 g/mol
Exact Mass336.13
IUPAC Name2-phenyl-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]butanamide
SMILESCCC(C(=O)NCc1ccc(-c2nccs2)cc1)c1ccccc1
InChIInChI=1S/C20H20N2OS/c1-2-18(16-6-4-3-5-7-16)19(23)22-14-15-8-10-17(11-9-15)20-21-12-13-24-20/h3-13,18H,2,14H2,1H3,(H,22,23)
InChIKeyRIYWVMWWGIDHBP-UHFFFAOYSA-N
XLogP4.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]butanamide?
The IUPAC name of 2-phenyl-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]butanamide (CID 71801670) is 2-phenyl-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]butanamide.
What is the SMILES notation for 2-phenyl-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]butanamide?
The canonical SMILES for 2-phenyl-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]butanamide is CCC(C(=O)NCc1ccc(-c2nccs2)cc1)c1ccccc1.
What is the InChIKey of 2-phenyl-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]butanamide?
The InChIKey is RIYWVMWWGIDHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2OS/c1-2-18(16-6-4-3-5-7-16)19(23)22-14-15-8-10-17(11-9-15)20-21-12-13-24-20/h3-13,18H,2,14H2,1H3,(H,22,23).
What are the key properties of 2-phenyl-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]butanamide?
2-phenyl-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]butanamide has a molecular weight of 336.46 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]butanamide is sourced from PubChem (CID 71801670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).