2-[[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-N-(2-pyrrolidin-1-ylethyl)acetamide

C21H29N3OS2 — CID 145363227

IUPAC2-[[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESCCc1ccc(-c2nc(C)c(CSCC(=O)NCCN3CCCC3)s2)cc1
InChIInChI=1S/C21H29N3OS2/c1-3-17-6-8-18(9-7-17)21-23-16(2)19(27-21)14-26-15-20(25)22-10-13-24-11-4-5-12-24/h6-9H,3-5,10-15H2,1-2H3,(H,22,25)
InChIKeyIZFYLODZSOKDDP-UHFFFAOYSA-N
MW403.62 g/mol
LogP4.13
Rot. Bonds9

About 2-[[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-N-(2-pyrrolidin-1-ylethyl)acetamide

2-[[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-N-(2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 145363227) has the molecular formula C21H29N3OS2 and a molecular weight of 403.62 g/mol. Its IUPAC name is 2-[[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-N-(2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-N-(2-pyrrolidin-1-ylethyl)acetamide
PubChem CID145363227
Molecular FormulaC21H29N3OS2
Molecular Weight403.62 g/mol
Exact Mass403.18
IUPAC Name2-[[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESCCc1ccc(-c2nc(C)c(CSCC(=O)NCCN3CCCC3)s2)cc1
InChIInChI=1S/C21H29N3OS2/c1-3-17-6-8-18(9-7-17)21-23-16(2)19(27-21)14-26-15-20(25)22-10-13-24-11-4-5-12-24/h6-9H,3-5,10-15H2,1-2H3,(H,22,25)
InChIKeyIZFYLODZSOKDDP-UHFFFAOYSA-N
XLogP4.13
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.62
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-N-(2-pyrrolidin-1-ylethyl)acetamide 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-[[2-[4-(diethylaminomethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 145363279
2-[[2-[4-[1-[3-[[2-[[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]acetyl]amino]phenyl]ethyl]phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 145363142
2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 6619419
2-(4-ethoxyphenyl)-4-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 68629951
4-methyl-2-(4-phenoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 59338114
N-[2-(4-fluorophenyl)ethyl]-2-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methylsulfanyl]acetamide
CID 145363297
2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-N-(2-piperidin-1-ylethyl)acetamide
CID 86990583
[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanol
CID 82044101
ethane;methyl 3-[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]propanoate
CID 145363237
N-[2-(azepan-1-yl)ethyl]-2-[(S)-[2-(4-ethylanilino)-2-oxoethyl]sulfinyl]acetamide
CID 11902749
2-(4-chlorophenyl)-4-methyl-N-(4-pyrrolidin-1-ylbutyl)-1,3-thiazole-5-carboxamide
CID 39084197
2-(6-methoxynaphthalen-2-yl)-4-methyl-N-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 59338509

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-N-(2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of 2-[[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-N-(2-pyrrolidin-1-ylethyl)acetamide (CID 145363227) is 2-[[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-N-(2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-[[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-N-(2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for 2-[[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-N-(2-pyrrolidin-1-ylethyl)acetamide is CCc1ccc(-c2nc(C)c(CSCC(=O)NCCN3CCCC3)s2)cc1.
What is the InChIKey of 2-[[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-N-(2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is IZFYLODZSOKDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3OS2/c1-3-17-6-8-18(9-7-17)21-23-16(2)19(27-21)14-26-15-20(25)22-10-13-24-11-4-5-12-24/h6-9H,3-5,10-15H2,1-2H3,(H,22,25).
What are the key properties of 2-[[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-N-(2-pyrrolidin-1-ylethyl)acetamide?
2-[[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-N-(2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 403.62 g/mol, XLogP of 4.13, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-N-(2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 145363227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).