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

C30H28N2OS — CID 142853869

IUPAC15-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
SMILESCCC1(C(=O)Nc2nc(CCc3ccccc3)cs2)CC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C30H28N2OS/c1-2-30(28(33)32-29-31-21(19-34-29)17-16-20-10-4-3-5-11-20)18-26-22-12-6-8-14-24(22)27(30)25-15-9-7-13-23(25)26/h3-15,19,26-27H,2,16-18H2,1H3,(H,31,32,33)
InChIKeyOBTZWKNDOOKOIA-UHFFFAOYSA-N
MW464.63 g/mol
LogP6.94
Rot. Bonds6

About 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

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 (PubChem CID 142853869) has the molecular formula C30H28N2OS and a molecular weight of 464.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name15-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
PubChem CID142853869
Molecular FormulaC30H28N2OS
Molecular Weight464.63 g/mol
Exact Mass464.19
IUPAC Name15-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
SMILESCCC1(C(=O)Nc2nc(CCc3ccccc3)cs2)CC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C30H28N2OS/c1-2-30(28(33)32-29-31-21(19-34-29)17-16-20-10-4-3-5-11-20)18-26-22-12-6-8-14-24(22)27(30)25-15-9-7-13-23(25)26/h3-15,19,26-27H,2,16-18H2,1H3,(H,31,32,33)
InChIKeyOBTZWKNDOOKOIA-UHFFFAOYSA-N
XLogP6.94
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.63
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

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-[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-[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
16-N-(4-benzyl-1,3-thiazol-2-yl)-16-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-3,16-dicarboxamide
CID 11554767
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
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
16-N-[4-[(4-formylphenyl)methyl]-1,3-thiazol-2-yl]-16-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-3,16-dicarboxamide
CID 163436533
(15S)-15-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 58594231
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
4-[2-(benzylcarbamoylamino)-1,3-thiazol-4-yl]butanoic acid
CID 18322950
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
ethyl 4-[2-(benzylcarbamoylamino)-1,3-thiazol-4-yl]butanoate
CID 18322926

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC1(C(=O)Nc2nc(CCc3ccccc3)cs2)CC2c3ccccc3C1c1ccccc12.
What is the InChIKey of 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?
The InChIKey is OBTZWKNDOOKOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2OS/c1-2-30(28(33)32-29-31-21(19-34-29)17-16-20-10-4-3-5-11-20)18-26-22-12-6-8-14-24(22)27(30)25-15-9-7-13-23(25)26/h3-15,19,26-27H,2,16-18H2,1H3,(H,31,32,33).
What are the key properties of 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?
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 has a molecular weight of 464.63 g/mol, XLogP of 6.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 142853869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).