N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[ethyl-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]amino]acetamide

C30H34ClN5OS — CID 71454902

IUPACN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[ethyl-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]amino]acetamide
SMILESCCN(CCCCNc1c2c(nc3ccccc13)CCCC2)CC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C30H34ClN5OS/c1-2-36(19-28(37)35-30-34-27(20-38-30)21-13-15-22(31)16-14-21)18-8-7-17-32-29-23-9-3-5-11-25(23)33-26-12-6-4-10-24(26)29/h3,5,9,11,13-16,20H,2,4,6-8,10,12,17-19H2,1H3,(H,32,33)(H,34,35,37)
InChIKeySWNXUFFUARZIDF-UHFFFAOYSA-N
MW548.16 g/mol
LogP7.04
Rot. Bonds11

About N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[ethyl-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]amino]acetamide

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[ethyl-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]amino]acetamide (PubChem CID 71454902) has the molecular formula C30H34ClN5OS and a molecular weight of 548.16 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[ethyl-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]amino]acetamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[ethyl-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]amino]acetamide
PubChem CID71454902
Molecular FormulaC30H34ClN5OS
Molecular Weight548.16 g/mol
Exact Mass547.22
IUPAC NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[ethyl-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]amino]acetamide
SMILESCCN(CCCCNc1c2c(nc3ccccc13)CCCC2)CC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C30H34ClN5OS/c1-2-36(19-28(37)35-30-34-27(20-38-30)21-13-15-22(31)16-14-21)18-8-7-17-32-29-23-9-3-5-11-25(23)33-26-12-6-4-10-24(26)29/h3,5,9,11,13-16,20H,2,4,6-8,10,12,17-19H2,1H3,(H,32,33)(H,34,35,37)
InChIKeySWNXUFFUARZIDF-UHFFFAOYSA-N
XLogP7.04
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.16
LogP ≤ 57.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[ethyl-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]amino]acetamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[ethyl-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]amino]acetamide (CID 71454902) is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[ethyl-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]amino]acetamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[ethyl-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]amino]acetamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[ethyl-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]amino]acetamide is CCN(CCCCNc1c2c(nc3ccccc13)CCCC2)CC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[ethyl-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]amino]acetamide?
The InChIKey is SWNXUFFUARZIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34ClN5OS/c1-2-36(19-28(37)35-30-34-27(20-38-30)21-13-15-22(31)16-14-21)18-8-7-17-32-29-23-9-3-5-11-25(23)33-26-12-6-4-10-24(26)29/h3,5,9,11,13-16,20H,2,4,6-8,10,12,17-19H2,1H3,(H,32,33)(H,34,35,37).
What are the key properties of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[ethyl-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]amino]acetamide?
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[ethyl-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]amino]acetamide has a molecular weight of 548.16 g/mol, XLogP of 7.04, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[ethyl-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]amino]acetamide is sourced from PubChem (CID 71454902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).