2-(2-aminoethyl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-1,3-thiazole-4-carboxamide

C23H23N3OS — CID 120618269

IUPAC2-(2-aminoethyl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)NCC2CC3c4ccccc4C2c2ccccc23)cs1
InChIInChI=1S/C23H23N3OS/c24-10-9-21-26-20(13-28-21)23(27)25-12-14-11-19-15-5-1-3-7-17(15)22(14)18-8-4-2-6-16(18)19/h1-8,13-14,19,22H,9-12,24H2,(H,25,27)
InChIKeyQIWWPQOVUXRKGZ-UHFFFAOYSA-N
MW389.52 g/mol
LogP3.67
Rot. Bonds5

About 2-(2-aminoethyl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 120618269) has the molecular formula C23H23N3OS and a molecular weight of 389.52 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID120618269
Molecular FormulaC23H23N3OS
Molecular Weight389.52 g/mol
Exact Mass389.16
IUPAC Name2-(2-aminoethyl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)NCC2CC3c4ccccc4C2c2ccccc23)cs1
InChIInChI=1S/C23H23N3OS/c24-10-9-21-26-20(13-28-21)23(27)25-12-14-11-19-15-5-1-3-7-17(15)22(14)18-8-4-2-6-16(18)19/h1-8,13-14,19,22H,9-12,24H2,(H,25,27)
InChIKeyQIWWPQOVUXRKGZ-UHFFFAOYSA-N
XLogP3.67
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-aminoethyl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

2-(2-aminoethyl)-N-[(2-hydroxycyclopentyl)methyl]-1,3-thiazole-4-carboxamide
CID 66389969
N,2-bis(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 66389522
2-(2-methyl-1,3-thiazol-4-yl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide
CID 134026067
2-(2-aminoethyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-4-carboxamide
CID 107221881
2-(2-aminoethyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 120638628
2-(2-aminoethyl)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120616033
2-(2-aminoethyl)-N-[(1-benzylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120645364
2-(2-aminoethyl)-N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66389079
2-(2-aminoethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66389365
2-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618131
2-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120622750
2-(2-aminoethyl)-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 129052232

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-1,3-thiazole-4-carboxamide (CID 120618269) is 2-(2-aminoethyl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-1,3-thiazole-4-carboxamide is NCCc1nc(C(=O)NCC2CC3c4ccccc4C2c2ccccc23)cs1.
What is the InChIKey of 2-(2-aminoethyl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is QIWWPQOVUXRKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3OS/c24-10-9-21-26-20(13-28-21)23(27)25-12-14-11-19-15-5-1-3-7-17(15)22(14)18-8-4-2-6-16(18)19/h1-8,13-14,19,22H,9-12,24H2,(H,25,27).
What are the key properties of 2-(2-aminoethyl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 389.52 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120618269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).