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

C26H24N2OS — CID 108738477

IUPACN-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-3-phenylpropanamide
SMILESCc1ccc(-c2csc(-c3ccc(CNC(=O)CCc4ccccc4)cc3)n2)cc1
InChIInChI=1S/C26H24N2OS/c1-19-7-12-22(13-8-19)24-18-30-26(28-24)23-14-9-21(10-15-23)17-27-25(29)16-11-20-5-3-2-4-6-20/h2-10,12-15,18H,11,16-17H2,1H3,(H,27,29)
InChIKeyYVSBRYSVAOGCFG-UHFFFAOYSA-N
MW412.56 g/mol
LogP6.03
Rot. Bonds7

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

N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-3-phenylpropanamide (PubChem CID 108738477) has the molecular formula C26H24N2OS and a molecular weight of 412.56 g/mol. Its IUPAC name is N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-3-phenylpropanamide
PubChem CID108738477
Molecular FormulaC26H24N2OS
Molecular Weight412.56 g/mol
Exact Mass412.16
IUPAC NameN-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-3-phenylpropanamide
SMILESCc1ccc(-c2csc(-c3ccc(CNC(=O)CCc4ccccc4)cc3)n2)cc1
InChIInChI=1S/C26H24N2OS/c1-19-7-12-22(13-8-19)24-18-30-26(28-24)23-14-9-21(10-15-23)17-27-25(29)16-11-20-5-3-2-4-6-20/h2-10,12-15,18H,11,16-17H2,1H3,(H,27,29)
InChIKeyYVSBRYSVAOGCFG-UHFFFAOYSA-N
XLogP6.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.56
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-3-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]pentanamide
CID 108738364
2-methoxy-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]acetamide
CID 108738461
2-methoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108739717
phenyl N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]carbamate
CID 108738413
2-phenoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108739624
4-(4-methoxyphenyl)-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-4-oxobutanamide
CID 108738448
4-(2-methylphenoxy)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butanamide
CID 108762394
N-[2-[4-[2-(4-methylphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]acetamide
CID 9343361
3-(1,3-dioxoisoindol-2-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide
CID 108762342
3-phenyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]propanamide
CID 110318189
1,1-diethyl-3-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]urea
CID 108738416
2-bromo-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
CID 108761194

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-3-phenylpropanamide?
The IUPAC name of N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-3-phenylpropanamide (CID 108738477) is N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-3-phenylpropanamide.
What is the SMILES notation for N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-3-phenylpropanamide?
The canonical SMILES for N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-3-phenylpropanamide is Cc1ccc(-c2csc(-c3ccc(CNC(=O)CCc4ccccc4)cc3)n2)cc1.
What is the InChIKey of N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-3-phenylpropanamide?
The InChIKey is YVSBRYSVAOGCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2OS/c1-19-7-12-22(13-8-19)24-18-30-26(28-24)23-14-9-21(10-15-23)17-27-25(29)16-11-20-5-3-2-4-6-20/h2-10,12-15,18H,11,16-17H2,1H3,(H,27,29).
What are the key properties of N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-3-phenylpropanamide?
N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-3-phenylpropanamide has a molecular weight of 412.56 g/mol, XLogP of 6.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-3-phenylpropanamide is sourced from PubChem (CID 108738477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).