N-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide

C28H33N5OS — CID 67902424

IUPACN-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCCN1CCN(C(c2ccccc2)c2ccccc2)CC1)C1CSC(c2cccnc2)N1
InChIInChI=1S/C28H33N5OS/c34-27(25-21-35-28(31-25)24-12-7-13-29-20-24)30-14-15-32-16-18-33(19-17-32)26(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-13,20,25-26,28,31H,14-19,21H2,(H,30,34)
InChIKeyUIRQUZDUNMTEEQ-UHFFFAOYSA-N
MW487.67 g/mol
LogP3.31
Rot. Bonds8

About N-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide

N-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide (PubChem CID 67902424) has the molecular formula C28H33N5OS and a molecular weight of 487.67 g/mol. Its IUPAC name is N-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide
PubChem CID67902424
Molecular FormulaC28H33N5OS
Molecular Weight487.67 g/mol
Exact Mass487.24
IUPAC NameN-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCCN1CCN(C(c2ccccc2)c2ccccc2)CC1)C1CSC(c2cccnc2)N1
InChIInChI=1S/C28H33N5OS/c34-27(25-21-35-28(31-25)24-12-7-13-29-20-24)30-14-15-32-16-18-33(19-17-32)26(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-13,20,25-26,28,31H,14-19,21H2,(H,30,34)
InChIKeyUIRQUZDUNMTEEQ-UHFFFAOYSA-N
XLogP3.31
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.67
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[4-[phenyl(pyridin-2-yl)methyl]piperazin-1-yl]propyl]-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide
CID 67805594
(4R)-N-[5-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]pentyl]-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide
CID 67805523
(4R)-N-[2-[(7S)-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl]ethyl]-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide
CID 67759507
N-phenyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 14881601
N-(3-butoxypropyl)-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide
CID 14881673
tert-butyl 4-[3-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]propylcarbamoyl]-2-pyridin-3-yl-1,3-thiazolidine-3-carboxylate
CID 67902191
N-(3-benzoylphenyl)-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 67898557
methyl (2S)-4-methyl-2-[(2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl)amino]pentanoate
CID 14881578
2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 19894077
(4R)-N-(3-chlorophenyl)-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide
CID 10313907
N-[2-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]ethyl]acetamide
CID 10363235
[4-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]piperazin-1-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone
CID 67804027

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide (CID 67902424) is N-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide is O=C(NCCN1CCN(C(c2ccccc2)c2ccccc2)CC1)C1CSC(c2cccnc2)N1.
What is the InChIKey of N-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide?
The InChIKey is UIRQUZDUNMTEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5OS/c34-27(25-21-35-28(31-25)24-12-7-13-29-20-24)30-14-15-32-16-18-33(19-17-32)26(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-13,20,25-26,28,31H,14-19,21H2,(H,30,34).
What are the key properties of N-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide?
N-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide has a molecular weight of 487.67 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 67902424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).