(10Z,12Z)-14-amino-9-methylidene-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]tricyclo[6.5.2.02,7]pentadeca-2,4,6,10,12-pentaene-14-carboxamide

C31H27N3OS — CID 143085209

IUPAC(10Z,12Z)-14-amino-9-methylidene-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]tricyclo[6.5.2.02,7]pentadeca-2,4,6,10,12-pentaene-14-carboxamide
SMILESC=C1/C=C\C=C/C2c3ccccc3C1CC2(N)C(=O)Nc1nc(-c2ccc(C)c3ccccc23)cs1
InChIInChI=1S/C31H27N3OS/c1-19-9-3-8-14-27-24-13-7-6-12-23(24)26(19)17-31(27,32)29(35)34-30-33-28(18-36-30)25-16-15-20(2)21-10-4-5-11-22(21)25/h3-16,18,26-27H,1,17,32H2,2H3,(H,33,34,35)/b9-3-,14-8-
InChIKeyPJKPKYOAZYUGLU-PKJORLPLSA-N
MW489.64 g/mol
LogP6.86
Rot. Bonds3

About (10Z,12Z)-14-amino-9-methylidene-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]tricyclo[6.5.2.02,7]pentadeca-2,4,6,10,12-pentaene-14-carboxamide

(10Z,12Z)-14-amino-9-methylidene-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]tricyclo[6.5.2.02,7]pentadeca-2,4,6,10,12-pentaene-14-carboxamide (PubChem CID 143085209) has the molecular formula C31H27N3OS and a molecular weight of 489.64 g/mol. Its IUPAC name is (10Z,12Z)-14-amino-9-methylidene-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]tricyclo[6.5.2.02,7]pentadeca-2,4,6,10,12-pentaene-14-carboxamide.

Molecular Properties

Compound Name(10Z,12Z)-14-amino-9-methylidene-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]tricyclo[6.5.2.02,7]pentadeca-2,4,6,10,12-pentaene-14-carboxamide
PubChem CID143085209
Molecular FormulaC31H27N3OS
Molecular Weight489.64 g/mol
Exact Mass489.19
IUPAC Name(10Z,12Z)-14-amino-9-methylidene-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]tricyclo[6.5.2.02,7]pentadeca-2,4,6,10,12-pentaene-14-carboxamide
SMILESC=C1/C=C\C=C/C2c3ccccc3C1CC2(N)C(=O)Nc1nc(-c2ccc(C)c3ccccc23)cs1
InChIInChI=1S/C31H27N3OS/c1-19-9-3-8-14-27-24-13-7-6-12-23(24)26(19)17-31(27,32)29(35)34-30-33-28(18-36-30)25-16-15-20(2)21-10-4-5-11-22(21)25/h3-16,18,26-27H,1,17,32H2,2H3,(H,33,34,35)/b9-3-,14-8-
InChIKeyPJKPKYOAZYUGLU-PKJORLPLSA-N
XLogP6.86
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.64
LogP ≤ 56.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (10Z,12Z)-14-amino-9-methylidene-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]tricyclo[6.5.2.02,7]pentadeca-2,4,6,10,12-pentaene-14-carboxamide with MolForge

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Related Compounds

9-methyl-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide
CID 11259523
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
N-[4-(1-benzothiophen-3-yl)-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 23596200
N-[4-(6-methoxynaphthalen-1-yl)-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 10006257
12-methyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-10-sulfanylidene-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide
CID 11374478
1-amino-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 119685811
N-methyl-4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-amine
CID 83801577
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-(4-iodophenyl)-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 23596185
8-bromo-N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pentacyclo[6.6.3.02,7.09,14.015,17]heptadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 142854106
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
N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-1-hydroxy-9-methyltricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide
CID 163995291

Frequently Asked Questions

What is the IUPAC name of (10Z,12Z)-14-amino-9-methylidene-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]tricyclo[6.5.2.02,7]pentadeca-2,4,6,10,12-pentaene-14-carboxamide?
The IUPAC name of (10Z,12Z)-14-amino-9-methylidene-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]tricyclo[6.5.2.02,7]pentadeca-2,4,6,10,12-pentaene-14-carboxamide (CID 143085209) is (10Z,12Z)-14-amino-9-methylidene-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]tricyclo[6.5.2.02,7]pentadeca-2,4,6,10,12-pentaene-14-carboxamide.
What is the SMILES notation for (10Z,12Z)-14-amino-9-methylidene-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]tricyclo[6.5.2.02,7]pentadeca-2,4,6,10,12-pentaene-14-carboxamide?
The canonical SMILES for (10Z,12Z)-14-amino-9-methylidene-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]tricyclo[6.5.2.02,7]pentadeca-2,4,6,10,12-pentaene-14-carboxamide is C=C1/C=C\C=C/C2c3ccccc3C1CC2(N)C(=O)Nc1nc(-c2ccc(C)c3ccccc23)cs1.
What is the InChIKey of (10Z,12Z)-14-amino-9-methylidene-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]tricyclo[6.5.2.02,7]pentadeca-2,4,6,10,12-pentaene-14-carboxamide?
The InChIKey is PJKPKYOAZYUGLU-PKJORLPLSA-N. The full InChI is InChI=1S/C31H27N3OS/c1-19-9-3-8-14-27-24-13-7-6-12-23(24)26(19)17-31(27,32)29(35)34-30-33-28(18-36-30)25-16-15-20(2)21-10-4-5-11-22(21)25/h3-16,18,26-27H,1,17,32H2,2H3,(H,33,34,35)/b9-3-,14-8-.
What are the key properties of (10Z,12Z)-14-amino-9-methylidene-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]tricyclo[6.5.2.02,7]pentadeca-2,4,6,10,12-pentaene-14-carboxamide?
(10Z,12Z)-14-amino-9-methylidene-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]tricyclo[6.5.2.02,7]pentadeca-2,4,6,10,12-pentaene-14-carboxamide has a molecular weight of 489.64 g/mol, XLogP of 6.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (10Z,12Z)-14-amino-9-methylidene-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]tricyclo[6.5.2.02,7]pentadeca-2,4,6,10,12-pentaene-14-carboxamide is sourced from PubChem (CID 143085209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).