3-methyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide

C21H22N2OS — CID 108769928

IUPAC3-methyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide
SMILESCc1sc(-c2ccccc2)nc1-c1ccc(NC(=O)CC(C)C)cc1
InChIInChI=1S/C21H22N2OS/c1-14(2)13-19(24)22-18-11-9-16(10-12-18)20-15(3)25-21(23-20)17-7-5-4-6-8-17/h4-12,14H,13H2,1-3H3,(H,22,24)
InChIKeyAGPFQWSPZUYHIV-UHFFFAOYSA-N
MW350.49 g/mol
LogP5.77
Rot. Bonds5

About 3-methyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide

3-methyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide (PubChem CID 108769928) has the molecular formula C21H22N2OS and a molecular weight of 350.49 g/mol. Its IUPAC name is 3-methyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide
PubChem CID108769928
Molecular FormulaC21H22N2OS
Molecular Weight350.49 g/mol
Exact Mass350.15
IUPAC Name3-methyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide
SMILESCc1sc(-c2ccccc2)nc1-c1ccc(NC(=O)CC(C)C)cc1
InChIInChI=1S/C21H22N2OS/c1-14(2)13-19(24)22-18-11-9-16(10-12-18)20-15(3)25-21(23-20)17-7-5-4-6-8-17/h4-12,14H,13H2,1-3H3,(H,22,24)
InChIKeyAGPFQWSPZUYHIV-UHFFFAOYSA-N
XLogP5.77
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.49
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropyl N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]carbamate
CID 108747904
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 108811606
4-methyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108769922
2,2,2-trifluoro-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 108769917
3-(1,3-dioxoisoindol-2-yl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108769961
3-chloro-2,2-dimethyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108769918
2-(4-methoxyphenoxy)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108747930
3,4-dimethyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108747881
N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 108769998
4-(dimethylamino)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108747886
3-methyl-N-[4-(phenylcarbamoylamino)phenyl]butanamide
CID 17193970
2-[4-(3-methylbutanoylamino)phenyl]-1,3-thiazole-4-carboxylic acid
CID 39163939

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide?
The IUPAC name of 3-methyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide (CID 108769928) is 3-methyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide.
What is the SMILES notation for 3-methyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide?
The canonical SMILES for 3-methyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide is Cc1sc(-c2ccccc2)nc1-c1ccc(NC(=O)CC(C)C)cc1.
What is the InChIKey of 3-methyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide?
The InChIKey is AGPFQWSPZUYHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2OS/c1-14(2)13-19(24)22-18-11-9-16(10-12-18)20-15(3)25-21(23-20)17-7-5-4-6-8-17/h4-12,14H,13H2,1-3H3,(H,22,24).
What are the key properties of 3-methyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide?
3-methyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide has a molecular weight of 350.49 g/mol, XLogP of 5.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide is sourced from PubChem (CID 108769928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).