N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]acetamide

C21H26N4O2S — CID 134813121

IUPACN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]acetamide
SMILESCc1ccc(CC(=O)N2CCN(CC(=O)Nc3nc4c(s3)CCC4)CC2)cc1
InChIInChI=1S/C21H26N4O2S/c1-15-5-7-16(8-6-15)13-20(27)25-11-9-24(10-12-25)14-19(26)23-21-22-17-3-2-4-18(17)28-21/h5-8H,2-4,9-14H2,1H3,(H,22,23,26)
InChIKeyQYFSJACNZVZUPA-UHFFFAOYSA-N
MW398.53 g/mol
LogP2.27
Rot. Bonds5

About N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]acetamide

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]acetamide (PubChem CID 134813121) has the molecular formula C21H26N4O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]acetamide
PubChem CID134813121
Molecular FormulaC21H26N4O2S
Molecular Weight398.53 g/mol
Exact Mass398.18
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]acetamide
SMILESCc1ccc(CC(=O)N2CCN(CC(=O)Nc3nc4c(s3)CCC4)CC2)cc1
InChIInChI=1S/C21H26N4O2S/c1-15-5-7-16(8-6-15)13-20(27)25-11-9-24(10-12-25)14-19(26)23-21-22-17-3-2-4-18(17)28-21/h5-8H,2-4,9-14H2,1H3,(H,22,23,26)
InChIKeyQYFSJACNZVZUPA-UHFFFAOYSA-N
XLogP2.27
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)-2-(4-methylpiperazin-1-yl)acetamide
CID 30376724
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(4-methylphenyl)sulfanylacetamide
CID 7254526
2-(4-aminopiperidin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 79328104
2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-phenylacetamide
CID 31150970
1-[(4-methylphenyl)methyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea
CID 20966617
N-(2,6-dimethylphenyl)-2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]acetamide
CID 17498739
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(4-methylphenyl)sulfanylpropanamide
CID 7254584
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 38493203
2-(2-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 6466381
2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9224136
2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 649211
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide
CID 120772381

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]acetamide (CID 134813121) is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]acetamide is Cc1ccc(CC(=O)N2CCN(CC(=O)Nc3nc4c(s3)CCC4)CC2)cc1.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]acetamide?
The InChIKey is QYFSJACNZVZUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2S/c1-15-5-7-16(8-6-15)13-20(27)25-11-9-24(10-12-25)14-19(26)23-21-22-17-3-2-4-18(17)28-21/h5-8H,2-4,9-14H2,1H3,(H,22,23,26).
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]acetamide?
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]acetamide has a molecular weight of 398.53 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 134813121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).