N-[2-(2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl)ethyl]-N-methyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide

C29H33N5OS — CID 19370301

IUPACN-[2-(2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl)ethyl]-N-methyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide
SMILESCN(CCN1CCN2c3ccccc3Cc3ccccc3C2C1)C(=O)C1CSC(c2cccnc2)N1
InChIInChI=1S/C29H33N5OS/c1-32(29(35)25-20-36-28(31-25)23-9-6-12-30-18-23)13-14-33-15-16-34-26-11-5-3-8-22(26)17-21-7-2-4-10-24(21)27(34)19-33/h2-12,18,25,27-28,31H,13-17,19-20H2,1H3
InChIKeyJTVQQGWDPKLVGZ-UHFFFAOYSA-N
MW499.68 g/mol
LogP3.71
Rot. Bonds5

About N-[2-(2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl)ethyl]-N-methyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide

N-[2-(2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl)ethyl]-N-methyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide (PubChem CID 19370301) has the molecular formula C29H33N5OS and a molecular weight of 499.68 g/mol. Its IUPAC name is N-[2-(2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl)ethyl]-N-methyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl)ethyl]-N-methyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide
PubChem CID19370301
Molecular FormulaC29H33N5OS
Molecular Weight499.68 g/mol
Exact Mass499.24
IUPAC NameN-[2-(2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl)ethyl]-N-methyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide
SMILESCN(CCN1CCN2c3ccccc3Cc3ccccc3C2C1)C(=O)C1CSC(c2cccnc2)N1
InChIInChI=1S/C29H33N5OS/c1-32(29(35)25-20-36-28(31-25)23-9-6-12-30-18-23)13-14-33-15-16-34-26-11-5-3-8-22(26)17-21-7-2-4-10-24(21)27(34)19-33/h2-12,18,25,27-28,31H,13-17,19-20H2,1H3
InChIKeyJTVQQGWDPKLVGZ-UHFFFAOYSA-N
XLogP3.71
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.68
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl)ethyl]-N-methyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide with MolForge

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Related Compounds

(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
6-[(7S)-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl]hexanoic acid;hydrochloride
CID 67780459
2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 19894077
N-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide
CID 67902424
[4-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]piperazin-1-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone
CID 67804027
ethyl 4-(17-chloro-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl)butanoate
CID 18999736
N,N-dimethyl-3-(2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl)indole-1-carboxamide
CID 57303606
N-phenyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 14881601
(4R)-N-[5-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]pentyl]-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide
CID 67805523
N-[2-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]ethyl]acetamide
CID 10363235
2-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]acetic acid;dihydrochloride
CID 45260555
methyl (2S)-4-methyl-2-[(2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl)amino]pentanoate
CID 14881578

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl)ethyl]-N-methyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[2-(2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl)ethyl]-N-methyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide (CID 19370301) is N-[2-(2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl)ethyl]-N-methyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[2-(2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl)ethyl]-N-methyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[2-(2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl)ethyl]-N-methyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide is CN(CCN1CCN2c3ccccc3Cc3ccccc3C2C1)C(=O)C1CSC(c2cccnc2)N1.
What is the InChIKey of N-[2-(2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl)ethyl]-N-methyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide?
The InChIKey is JTVQQGWDPKLVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5OS/c1-32(29(35)25-20-36-28(31-25)23-9-6-12-30-18-23)13-14-33-15-16-34-26-11-5-3-8-22(26)17-21-7-2-4-10-24(21)27(34)19-33/h2-12,18,25,27-28,31H,13-17,19-20H2,1H3.
What are the key properties of N-[2-(2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl)ethyl]-N-methyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide?
N-[2-(2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl)ethyl]-N-methyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide has a molecular weight of 499.68 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl)ethyl]-N-methyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 19370301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).