2-methylsulfanyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide

C23H18N2OS2 — CID 41154127

IUPAC2-methylsulfanyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCSc1ccccc1C(=O)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1
InChIInChI=1S/C23H18N2OS2/c1-27-21-10-6-5-9-19(21)22(26)25-23-24-20(15-28-23)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-15H,1H3,(H,24,25,26)
InChIKeyRFCHLBNMSRRESY-UHFFFAOYSA-N
MW402.54 g/mol
LogP6.45
Rot. Bonds5

About 2-methylsulfanyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide

2-methylsulfanyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 41154127) has the molecular formula C23H18N2OS2 and a molecular weight of 402.54 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID41154127
Molecular FormulaC23H18N2OS2
Molecular Weight402.54 g/mol
Exact Mass402.09
IUPAC Name2-methylsulfanyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCSc1ccccc1C(=O)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1
InChIInChI=1S/C23H18N2OS2/c1-27-21-10-6-5-9-19(21)22(26)25-23-24-20(15-28-23)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-15H,1H3,(H,24,25,26)
InChIKeyRFCHLBNMSRRESY-UHFFFAOYSA-N
XLogP6.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methylsulfanyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide 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

2-methylsulfanyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 8610272
2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 576996
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2-methylsulfanylbenzamide
CID 41154126
methyl 2-[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]sulfanylpropanoate
CID 60529725
1-N,2-N-bis[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]benzene-1,2-dicarboxamide
CID 5237170
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 868787
4-acetamido-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2463728
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenyl-1H-pyrrole-3-carboxamide
CID 56930773
2,5-dimethoxy-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 16848702
4-chloro-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2332435
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 3308072

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2-methylsulfanyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide (CID 41154127) is 2-methylsulfanyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2-methylsulfanyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2-methylsulfanyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide is CSc1ccccc1C(=O)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1.
What is the InChIKey of 2-methylsulfanyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is RFCHLBNMSRRESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2OS2/c1-27-21-10-6-5-9-19(21)22(26)25-23-24-20(15-28-23)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-15H,1H3,(H,24,25,26).
What are the key properties of 2-methylsulfanyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide?
2-methylsulfanyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 402.54 g/mol, XLogP of 6.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 41154127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).