2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide

C21H28ClN3OS — CID 6736069

IUPAC2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
SMILESCc1sc(-c2ccc(Cl)cc2)nc1CC(=O)NCCCN1CCCCC1C
InChIInChI=1S/C21H28ClN3OS/c1-15-6-3-4-12-25(15)13-5-11-23-20(26)14-19-16(2)27-21(24-19)17-7-9-18(22)10-8-17/h7-10,15H,3-6,11-14H2,1-2H3,(H,23,26)
InChIKeyQSNNOFLLHJCDEV-UHFFFAOYSA-N
MW406.00 g/mol
LogP4.70
Rot. Bonds7

About 2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide

2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide (PubChem CID 6736069) has the molecular formula C21H28ClN3OS and a molecular weight of 406.00 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
PubChem CID6736069
Molecular FormulaC21H28ClN3OS
Molecular Weight406.00 g/mol
Exact Mass405.16
IUPAC Name2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
SMILESCc1sc(-c2ccc(Cl)cc2)nc1CC(=O)NCCCN1CCCCC1C
InChIInChI=1S/C21H28ClN3OS/c1-15-6-3-4-12-25(15)13-5-11-23-20(26)14-19-16(2)27-21(24-19)17-7-9-18(22)10-8-17/h7-10,15H,3-6,11-14H2,1-2H3,(H,23,26)
InChIKeyQSNNOFLLHJCDEV-UHFFFAOYSA-N
XLogP4.70
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.00
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide (CID 6736069) is 2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide is Cc1sc(-c2ccc(Cl)cc2)nc1CC(=O)NCCCN1CCCCC1C.
What is the InChIKey of 2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide?
The InChIKey is QSNNOFLLHJCDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN3OS/c1-15-6-3-4-12-25(15)13-5-11-23-20(26)14-19-16(2)27-21(24-19)17-7-9-18(22)10-8-17/h7-10,15H,3-6,11-14H2,1-2H3,(H,23,26).
What are the key properties of 2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide?
2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide has a molecular weight of 406.00 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide is sourced from PubChem (CID 6736069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).