N-(2-methylphenyl)-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide

C21H22N2OS — CID 8963536

IUPACN-(2-methylphenyl)-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCCCc1ccc(-c2csc(CC(=O)Nc3ccccc3C)n2)cc1
InChIInChI=1S/C21H22N2OS/c1-3-6-16-9-11-17(12-10-16)19-14-25-21(23-19)13-20(24)22-18-8-5-4-7-15(18)2/h4-5,7-12,14H,3,6,13H2,1-2H3,(H,22,24)
InChIKeyCACPIEAYXXVDNQ-UHFFFAOYSA-N
MW350.49 g/mol
LogP5.25
Rot. Bonds6

About N-(2-methylphenyl)-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide

N-(2-methylphenyl)-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 8963536) has the molecular formula C21H22N2OS and a molecular weight of 350.49 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID8963536
Molecular FormulaC21H22N2OS
Molecular Weight350.49 g/mol
Exact Mass350.15
IUPAC NameN-(2-methylphenyl)-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCCCc1ccc(-c2csc(CC(=O)Nc3ccccc3C)n2)cc1
InChIInChI=1S/C21H22N2OS/c1-3-6-16-9-11-17(12-10-16)19-14-25-21(23-19)13-20(24)22-18-8-5-4-7-15(18)2/h4-5,7-12,14H,3,6,13H2,1-2H3,(H,22,24)
InChIKeyCACPIEAYXXVDNQ-UHFFFAOYSA-N
XLogP5.25
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.49
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylphenyl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
CID 8963676
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 8963664
2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 9420940
N-benzyl-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 9233048
2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 8963701
2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 2570787
2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 8963723
2-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 17405571
2-[4-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 9343710
2-(2-methylphenoxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7918619
2-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-N-(2,4-dimethylphenyl)acetamide
CID 17458338
N-(2-methylphenyl)-2-[4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 51111758

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-(2-methylphenyl)-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide (CID 8963536) is N-(2-methylphenyl)-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-(2-methylphenyl)-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide is CCCc1ccc(-c2csc(CC(=O)Nc3ccccc3C)n2)cc1.
What is the InChIKey of N-(2-methylphenyl)-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is CACPIEAYXXVDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2OS/c1-3-6-16-9-11-17(12-10-16)19-14-25-21(23-19)13-20(24)22-18-8-5-4-7-15(18)2/h4-5,7-12,14H,3,6,13H2,1-2H3,(H,22,24).
What are the key properties of N-(2-methylphenyl)-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide?
N-(2-methylphenyl)-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 350.49 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 8963536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).