N-(5-pyridin-3-yl-1,3-thiazol-2-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide

C24H19N3OS — CID 168958121

IUPACN-(5-pyridin-3-yl-1,3-thiazol-2-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide
SMILESO=C(Nc1ncc(-c2cccnc2)s1)C1c2ccccc2CCc2ccccc21
InChIInChI=1S/C24H19N3OS/c28-23(27-24-26-15-21(29-24)18-8-5-13-25-14-18)22-19-9-3-1-6-16(19)11-12-17-7-2-4-10-20(17)22/h1-10,13-15,22H,11-12H2,(H,26,27,28)
InChIKeyMSAWSCFWTZBMRJ-UHFFFAOYSA-N
MW397.50 g/mol
LogP5.07
Rot. Bonds3

About N-(5-pyridin-3-yl-1,3-thiazol-2-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide

N-(5-pyridin-3-yl-1,3-thiazol-2-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide (PubChem CID 168958121) has the molecular formula C24H19N3OS and a molecular weight of 397.50 g/mol. Its IUPAC name is N-(5-pyridin-3-yl-1,3-thiazol-2-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide.

Molecular Properties

Compound NameN-(5-pyridin-3-yl-1,3-thiazol-2-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide
PubChem CID168958121
Molecular FormulaC24H19N3OS
Molecular Weight397.50 g/mol
Exact Mass397.12
IUPAC NameN-(5-pyridin-3-yl-1,3-thiazol-2-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide
SMILESO=C(Nc1ncc(-c2cccnc2)s1)C1c2ccccc2CCc2ccccc21
InChIInChI=1S/C24H19N3OS/c28-23(27-24-26-15-21(29-24)18-8-5-13-25-14-18)22-19-9-3-1-6-16(19)11-12-17-7-2-4-10-20(17)22/h1-10,13-15,22H,11-12H2,(H,26,27,28)
InChIKeyMSAWSCFWTZBMRJ-UHFFFAOYSA-N
XLogP5.07
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.50
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-pyridin-3-yl-1,3-thiazol-2-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(5-pyridin-3-yl-1,3-thiazol-2-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide?
The IUPAC name of N-(5-pyridin-3-yl-1,3-thiazol-2-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide (CID 168958121) is N-(5-pyridin-3-yl-1,3-thiazol-2-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide.
What is the SMILES notation for N-(5-pyridin-3-yl-1,3-thiazol-2-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide?
The canonical SMILES for N-(5-pyridin-3-yl-1,3-thiazol-2-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide is O=C(Nc1ncc(-c2cccnc2)s1)C1c2ccccc2CCc2ccccc21.
What is the InChIKey of N-(5-pyridin-3-yl-1,3-thiazol-2-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide?
The InChIKey is MSAWSCFWTZBMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3OS/c28-23(27-24-26-15-21(29-24)18-8-5-13-25-14-18)22-19-9-3-1-6-16(19)11-12-17-7-2-4-10-20(17)22/h1-10,13-15,22H,11-12H2,(H,26,27,28).
What are the key properties of N-(5-pyridin-3-yl-1,3-thiazol-2-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide?
N-(5-pyridin-3-yl-1,3-thiazol-2-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyridin-3-yl-1,3-thiazol-2-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide is sourced from PubChem (CID 168958121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).