N-(2-chlorophenyl)-2-[4-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide

C21H24ClN5OS — CID 39948753

IUPACN-(2-chlorophenyl)-2-[4-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
SMILESCc1nc(N2CCN(CC(=O)Nc3ccccc3Cl)CC2)c2c(C)c(C)sc2n1
InChIInChI=1S/C21H24ClN5OS/c1-13-14(2)29-21-19(13)20(23-15(3)24-21)27-10-8-26(9-11-27)12-18(28)25-17-7-5-4-6-16(17)22/h4-7H,8-12H2,1-3H3,(H,25,28)
InChIKeyNEZSPKGRUYEFFU-UHFFFAOYSA-N
MW429.98 g/mol
LogP4.03
Rot. Bonds4

About N-(2-chlorophenyl)-2-[4-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide

N-(2-chlorophenyl)-2-[4-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide (PubChem CID 39948753) has the molecular formula C21H24ClN5OS and a molecular weight of 429.98 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[4-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[4-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
PubChem CID39948753
Molecular FormulaC21H24ClN5OS
Molecular Weight429.98 g/mol
Exact Mass429.14
IUPAC NameN-(2-chlorophenyl)-2-[4-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
SMILESCc1nc(N2CCN(CC(=O)Nc3ccccc3Cl)CC2)c2c(C)c(C)sc2n1
InChIInChI=1S/C21H24ClN5OS/c1-13-14(2)29-21-19(13)20(23-15(3)24-21)27-10-8-26(9-11-27)12-18(28)25-17-7-5-4-6-16(17)22/h4-7H,8-12H2,1-3H3,(H,25,28)
InChIKeyNEZSPKGRUYEFFU-UHFFFAOYSA-N
XLogP4.03
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.98
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-chlorophenyl)-2-[4-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]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

ethyl 4-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 31257758
N-(2-chlorophenyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide
CID 2608315
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 29161450
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 22197633
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
N-(2-chlorophenyl)-2-[4-(3-methylbut-2-enyl)piperazin-1-yl]acetamide
CID 8800016
N-[(2-chlorophenyl)methyl]-2,5-dimethyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 3420153
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]pyridine-3-carboxamide
CID 31536358
N-(2-chlorophenyl)-2-[4-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide
CID 24503747
N-(2-chlorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18167877
(2-fluorophenyl)-[4-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 1466676

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[4-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[4-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide (CID 39948753) is N-(2-chlorophenyl)-2-[4-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[4-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[4-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide is Cc1nc(N2CCN(CC(=O)Nc3ccccc3Cl)CC2)c2c(C)c(C)sc2n1.
What is the InChIKey of N-(2-chlorophenyl)-2-[4-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide?
The InChIKey is NEZSPKGRUYEFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5OS/c1-13-14(2)29-21-19(13)20(23-15(3)24-21)27-10-8-26(9-11-27)12-18(28)25-17-7-5-4-6-16(17)22/h4-7H,8-12H2,1-3H3,(H,25,28).
What are the key properties of N-(2-chlorophenyl)-2-[4-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide?
N-(2-chlorophenyl)-2-[4-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide has a molecular weight of 429.98 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[4-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 39948753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).