N,15-dimethyl-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

C32H26N2OS — CID 23596255

IUPACN,15-dimethyl-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
SMILESCN(C(=O)C1(C)CC2c3ccccc3C1c1ccccc12)c1nc(-c2cccc3ccccc23)cs1
InChIInChI=1S/C32H26N2OS/c1-32(18-27-22-13-5-7-15-25(22)29(32)26-16-8-6-14-23(26)27)30(35)34(2)31-33-28(19-36-31)24-17-9-11-20-10-3-4-12-21(20)24/h3-17,19,27,29H,18H2,1-2H3
InChIKeyIHHZXRPZRALXFK-UHFFFAOYSA-N
MW486.64 g/mol
LogP7.61
Rot. Bonds3

About N,15-dimethyl-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

N,15-dimethyl-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 (PubChem CID 23596255) has the molecular formula C32H26N2OS and a molecular weight of 486.64 g/mol. Its IUPAC name is N,15-dimethyl-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.

Molecular Properties

Compound NameN,15-dimethyl-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
PubChem CID23596255
Molecular FormulaC32H26N2OS
Molecular Weight486.64 g/mol
Exact Mass486.18
IUPAC NameN,15-dimethyl-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
SMILESCN(C(=O)C1(C)CC2c3ccccc3C1c1ccccc12)c1nc(-c2cccc3ccccc23)cs1
InChIInChI=1S/C32H26N2OS/c1-32(18-27-22-13-5-7-15-25(22)29(32)26-16-8-6-14-23(26)27)30(35)34(2)31-33-28(19-36-31)24-17-9-11-20-10-3-4-12-21(20)24/h3-17,19,27,29H,18H2,1-2H3
InChIKeyIHHZXRPZRALXFK-UHFFFAOYSA-N
XLogP7.61
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.64
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,15-dimethyl-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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,15-dimethyl-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?
The IUPAC name of N,15-dimethyl-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 23596255) is N,15-dimethyl-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.
What is the SMILES notation for N,15-dimethyl-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?
The canonical SMILES for N,15-dimethyl-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 is CN(C(=O)C1(C)CC2c3ccccc3C1c1ccccc12)c1nc(-c2cccc3ccccc23)cs1.
What is the InChIKey of N,15-dimethyl-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?
The InChIKey is IHHZXRPZRALXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N2OS/c1-32(18-27-22-13-5-7-15-25(22)29(32)26-16-8-6-14-23(26)27)30(35)34(2)31-33-28(19-36-31)24-17-9-11-20-10-3-4-12-21(20)24/h3-17,19,27,29H,18H2,1-2H3.
What are the key properties of N,15-dimethyl-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?
N,15-dimethyl-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 has a molecular weight of 486.64 g/mol, XLogP of 7.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,15-dimethyl-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 is sourced from PubChem (CID 23596255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).