N-[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]-2-[3-(3-piperazin-1-ylpropoxy)phenyl]acetamide

C23H26ClN5O2S — CID 24830407

IUPACN-[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]-2-[3-(3-piperazin-1-ylpropoxy)phenyl]acetamide
SMILESO=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(-c2ccnc(Cl)c2)cs1
InChIInChI=1S/C23H26ClN5O2S/c24-21-15-18(5-6-26-21)20-16-32-23(27-20)28-22(30)14-17-3-1-4-19(13-17)31-12-2-9-29-10-7-25-8-11-29/h1,3-6,13,15-16,25H,2,7-12,14H2,(H,27,28,30)
InChIKeyRLSRPOHERDYBAG-UHFFFAOYSA-N
MW472.01 g/mol
LogP3.71
Rot. Bonds9

About N-[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]-2-[3-(3-piperazin-1-ylpropoxy)phenyl]acetamide

N-[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]-2-[3-(3-piperazin-1-ylpropoxy)phenyl]acetamide (PubChem CID 24830407) has the molecular formula C23H26ClN5O2S and a molecular weight of 472.01 g/mol. Its IUPAC name is N-[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]-2-[3-(3-piperazin-1-ylpropoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]-2-[3-(3-piperazin-1-ylpropoxy)phenyl]acetamide
PubChem CID24830407
Molecular FormulaC23H26ClN5O2S
Molecular Weight472.01 g/mol
Exact Mass471.15
IUPAC NameN-[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]-2-[3-(3-piperazin-1-ylpropoxy)phenyl]acetamide
SMILESO=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(-c2ccnc(Cl)c2)cs1
InChIInChI=1S/C23H26ClN5O2S/c24-21-15-18(5-6-26-21)20-16-32-23(27-20)28-22(30)14-17-3-1-4-19(13-17)31-12-2-9-29-10-7-25-8-11-29/h1,3-6,13,15-16,25H,2,7-12,14H2,(H,27,28,30)
InChIKeyRLSRPOHERDYBAG-UHFFFAOYSA-N
XLogP3.71
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.01
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]-2-[3-(4-piperazin-1-ylbutyl)phenyl]acetamide
CID 87106859
N-[4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-2-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]acetamide
CID 11569735
2-(3-methoxyphenyl)-N-[4-[2-(methylamino)-4-pyridinyl]-1,3-thiazol-2-yl]acetamide
CID 24829572
2-(3-methoxyphenyl)-N-[4-(2-methoxy-4-pyridinyl)-1,3-thiazol-2-yl]acetamide
CID 24831672
N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 86578418
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 2090704
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 7915494
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 2550621
2-[3-(3-piperazin-1-ylpropoxy)phenyl]acetaldehyde
CID 142892985
2-phenyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 3414920
N-[4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 11531053
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 16911472

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]-2-[3-(3-piperazin-1-ylpropoxy)phenyl]acetamide?
The IUPAC name of N-[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]-2-[3-(3-piperazin-1-ylpropoxy)phenyl]acetamide (CID 24830407) is N-[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]-2-[3-(3-piperazin-1-ylpropoxy)phenyl]acetamide.
What is the SMILES notation for N-[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]-2-[3-(3-piperazin-1-ylpropoxy)phenyl]acetamide?
The canonical SMILES for N-[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]-2-[3-(3-piperazin-1-ylpropoxy)phenyl]acetamide is O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(-c2ccnc(Cl)c2)cs1.
What is the InChIKey of N-[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]-2-[3-(3-piperazin-1-ylpropoxy)phenyl]acetamide?
The InChIKey is RLSRPOHERDYBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O2S/c24-21-15-18(5-6-26-21)20-16-32-23(27-20)28-22(30)14-17-3-1-4-19(13-17)31-12-2-9-29-10-7-25-8-11-29/h1,3-6,13,15-16,25H,2,7-12,14H2,(H,27,28,30).
What are the key properties of N-[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]-2-[3-(3-piperazin-1-ylpropoxy)phenyl]acetamide?
N-[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]-2-[3-(3-piperazin-1-ylpropoxy)phenyl]acetamide has a molecular weight of 472.01 g/mol, XLogP of 3.71, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]-2-[3-(3-piperazin-1-ylpropoxy)phenyl]acetamide is sourced from PubChem (CID 24830407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).