15-ethyl-N-[4-[3-(piperidine-1-carbonyl)phenyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide

C34H33N3O2S — CID 142854082

IUPAC15-ethyl-N-[4-[3-(piperidine-1-carbonyl)phenyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
SMILESCCC1(C(=O)Nc2nc(-c3cccc(C(=O)N4CCCCC4)c3)cs2)CC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C34H33N3O2S/c1-2-34(20-28-24-13-4-6-15-26(24)30(34)27-16-7-5-14-25(27)28)32(39)36-33-35-29(21-40-33)22-11-10-12-23(19-22)31(38)37-17-8-3-9-18-37/h4-7,10-16,19,21,28,30H,2-3,8-9,17-18,20H2,1H3,(H,35,36,39)
InChIKeyUNGSGTWXLSBUOK-UHFFFAOYSA-N
MW547.72 g/mol
LogP7.45
Rot. Bonds5

About 15-ethyl-N-[4-[3-(piperidine-1-carbonyl)phenyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide

15-ethyl-N-[4-[3-(piperidine-1-carbonyl)phenyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide (PubChem CID 142854082) has the molecular formula C34H33N3O2S and a molecular weight of 547.72 g/mol. Its IUPAC name is 15-ethyl-N-[4-[3-(piperidine-1-carbonyl)phenyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide.

Molecular Properties

Compound Name15-ethyl-N-[4-[3-(piperidine-1-carbonyl)phenyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
PubChem CID142854082
Molecular FormulaC34H33N3O2S
Molecular Weight547.72 g/mol
Exact Mass547.23
IUPAC Name15-ethyl-N-[4-[3-(piperidine-1-carbonyl)phenyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
SMILESCCC1(C(=O)Nc2nc(-c3cccc(C(=O)N4CCCCC4)c3)cs2)CC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C34H33N3O2S/c1-2-34(20-28-24-13-4-6-15-26(24)30(34)27-16-7-5-14-25(27)28)32(39)36-33-35-29(21-40-33)22-11-10-12-23(19-22)31(38)37-17-8-3-9-18-37/h4-7,10-16,19,21,28,30H,2-3,8-9,17-18,20H2,1H3,(H,35,36,39)
InChIKeyUNGSGTWXLSBUOK-UHFFFAOYSA-N
XLogP7.45
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.72
LogP ≤ 57.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 15-ethyl-N-[4-[3-(piperidine-1-carbonyl)phenyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide with MolForge

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Related Compounds

15-ethyl-N-[4-[4-(ethylcarbamoyl)phenyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 142854056
15-ethyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 23596338
15-ethyl-N-[4-[3-[(4-methoxy-2-methylcyclohexyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 142854002
N-[4-[3-(cyclopentylcarbamoyl)phenyl]-1,3-thiazol-2-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 23596062
15-ethyl-N-[4-(2-phenylethyl)-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 142853869
N-[4-[3-(benzylcarbamoyl)phenyl]-1,3-thiazol-2-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 23596107
15-methyl-N-[4-[3-(1,3,4-thiadiazol-2-ylcarbamoyl)phenyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 23596103
N-[4-[3-[(4-chlorophenyl)methylcarbamoyl]phenyl]-1,3-thiazol-2-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 23596115
15-methyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 23596040
N-[4-[3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-1,3-thiazol-2-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 23596151
N-[4-[3-[(2,5-dichlorophenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 23596077
N-[4-[3-[(6-methoxy-3-pyridinyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 10053809

Frequently Asked Questions

What is the IUPAC name of 15-ethyl-N-[4-[3-(piperidine-1-carbonyl)phenyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The IUPAC name of 15-ethyl-N-[4-[3-(piperidine-1-carbonyl)phenyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide (CID 142854082) is 15-ethyl-N-[4-[3-(piperidine-1-carbonyl)phenyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide.
What is the SMILES notation for 15-ethyl-N-[4-[3-(piperidine-1-carbonyl)phenyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The canonical SMILES for 15-ethyl-N-[4-[3-(piperidine-1-carbonyl)phenyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide is CCC1(C(=O)Nc2nc(-c3cccc(C(=O)N4CCCCC4)c3)cs2)CC2c3ccccc3C1c1ccccc12.
What is the InChIKey of 15-ethyl-N-[4-[3-(piperidine-1-carbonyl)phenyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The InChIKey is UNGSGTWXLSBUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33N3O2S/c1-2-34(20-28-24-13-4-6-15-26(24)30(34)27-16-7-5-14-25(27)28)32(39)36-33-35-29(21-40-33)22-11-10-12-23(19-22)31(38)37-17-8-3-9-18-37/h4-7,10-16,19,21,28,30H,2-3,8-9,17-18,20H2,1H3,(H,35,36,39).
What are the key properties of 15-ethyl-N-[4-[3-(piperidine-1-carbonyl)phenyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
15-ethyl-N-[4-[3-(piperidine-1-carbonyl)phenyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide has a molecular weight of 547.72 g/mol, XLogP of 7.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-ethyl-N-[4-[3-(piperidine-1-carbonyl)phenyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide is sourced from PubChem (CID 142854082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).