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

C21H22N2OS — CID 9233048

IUPACN-benzyl-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCCCc1ccc(-c2csc(CC(=O)NCc3ccccc3)n2)cc1
InChIInChI=1S/C21H22N2OS/c1-2-6-16-9-11-18(12-10-16)19-15-25-21(23-19)13-20(24)22-14-17-7-4-3-5-8-17/h3-5,7-12,15H,2,6,13-14H2,1H3,(H,22,24)
InChIKeyRCMJZHXOHJHMBR-UHFFFAOYSA-N
MW350.49 g/mol
LogP4.62
Rot. Bonds7

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

N-benzyl-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 9233048) has the molecular formula C21H22N2OS and a molecular weight of 350.49 g/mol. Its IUPAC name is N-benzyl-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID9233048
Molecular FormulaC21H22N2OS
Molecular Weight350.49 g/mol
Exact Mass350.15
IUPAC NameN-benzyl-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCCCc1ccc(-c2csc(CC(=O)NCc3ccccc3)n2)cc1
InChIInChI=1S/C21H22N2OS/c1-2-6-16-9-11-18(12-10-16)19-15-25-21(23-19)13-20(24)22-14-17-7-4-3-5-8-17/h3-5,7-12,15H,2,6,13-14H2,1H3,(H,22,24)
InChIKeyRCMJZHXOHJHMBR-UHFFFAOYSA-N
XLogP4.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]phenyl]butanamide
CID 9233346
N-benzyl-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 9232879
N-(2-methylphenyl)-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 8963536
N-benzyl-2-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 17469813
N-benzyl-2-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 9233028
N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-3-phenylpropanamide
CID 108738477
3-phenyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]propanamide
CID 110318189
2-methoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108739717
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-phenylacetamide
CID 108762419
2-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid
CID 9148295
2-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 4566516
1-benzyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea
CID 127048003

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide (CID 9233048) is N-benzyl-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide is CCCc1ccc(-c2csc(CC(=O)NCc3ccccc3)n2)cc1.
What is the InChIKey of N-benzyl-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is RCMJZHXOHJHMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2OS/c1-2-6-16-9-11-18(12-10-16)19-15-25-21(23-19)13-20(24)22-14-17-7-4-3-5-8-17/h3-5,7-12,15H,2,6,13-14H2,1H3,(H,22,24).
What are the key properties of N-benzyl-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide?
N-benzyl-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 350.49 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 9233048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).