N-[(1S)-7-amino-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,2,5-thiadiazole-3-carboxamide

C23H24N6O2S — CID 90149337

IUPACN-[(1S)-7-amino-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,2,5-thiadiazole-3-carboxamide
SMILESNC(=O)CCCCC[C@H](NC(=O)c1cnsn1)c1ncc(-c2ccc3ccccc3c2)[nH]1
InChIInChI=1S/C23H24N6O2S/c24-21(30)9-3-1-2-8-18(28-23(31)20-14-26-32-29-20)22-25-13-19(27-22)17-11-10-15-6-4-5-7-16(15)12-17/h4-7,10-14,18H,1-3,8-9H2,(H2,24,30)(H,25,27)(H,28,31)/t18-/m0/s1
InChIKeyTWHFSBFHHGSNDE-SFHVURJKSA-N
MW448.55 g/mol
LogP3.99
Rot. Bonds10

About N-[(1S)-7-amino-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,2,5-thiadiazole-3-carboxamide

N-[(1S)-7-amino-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,2,5-thiadiazole-3-carboxamide (PubChem CID 90149337) has the molecular formula C23H24N6O2S and a molecular weight of 448.55 g/mol. Its IUPAC name is N-[(1S)-7-amino-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-7-amino-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,2,5-thiadiazole-3-carboxamide
PubChem CID90149337
Molecular FormulaC23H24N6O2S
Molecular Weight448.55 g/mol
Exact Mass448.17
IUPAC NameN-[(1S)-7-amino-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,2,5-thiadiazole-3-carboxamide
SMILESNC(=O)CCCCC[C@H](NC(=O)c1cnsn1)c1ncc(-c2ccc3ccccc3c2)[nH]1
InChIInChI=1S/C23H24N6O2S/c24-21(30)9-3-1-2-8-18(28-23(31)20-14-26-32-29-20)22-25-13-19(27-22)17-11-10-15-6-4-5-7-16(15)12-17/h4-7,10-14,18H,1-3,8-9H2,(H2,24,30)(H,25,27)(H,28,31)/t18-/m0/s1
InChIKeyTWHFSBFHHGSNDE-SFHVURJKSA-N
XLogP3.99
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(7S)-7-[[2-(benzimidazol-1-yl)acetyl]amino]-7-(5-naphthalen-2-yl-1H-imidazol-2-yl)heptanamide
CID 90149342
N-[(1S)-7-(2-chlorophenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide
CID 164988102
5-methyl-N-[(1S)-7-(methylamino)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1-phenylpyrazole-3-carboxamide
CID 90149122
N-[7-amino-1-[5-(3-methoxyisoquinolin-7-yl)-1H-imidazol-2-yl]-7-oxoheptyl]-1,3-thiazole-5-carboxamide
CID 144617633
N-[7-(methylamino)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-4-(tetrazol-1-yl)benzamide
CID 118453184
N-[7-amino-7-oxo-1-[5-[2-(trifluoromethyl)quinolin-6-yl]-1H-imidazol-2-yl]heptyl]-1,3-thiazole-5-carboxamide
CID 144617604
4-methyl-N-[(1S)-7-(methylamino)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]thiadiazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 171930193
N-[(1S)-7-(5-fluoro-2-sulfanylphenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide
CID 164973265
N-[(1S)-7-(2-amino-5-fluoro-3-methylphenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide
CID 164995957
N-[(1S)-7-(2,3-dihydro-1H-inden-4-yl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide
CID 164988106
N-[(1S)-7-(2-fluoro-6-methoxyphenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide
CID 164973267
2-(2,2-dimethylhydrazinyl)-2-methyl-N-[(1S)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxononyl]propanamide
CID 141254987

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-7-amino-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-[(1S)-7-amino-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,2,5-thiadiazole-3-carboxamide (CID 90149337) is N-[(1S)-7-amino-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-7-amino-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-[(1S)-7-amino-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,2,5-thiadiazole-3-carboxamide is NC(=O)CCCCC[C@H](NC(=O)c1cnsn1)c1ncc(-c2ccc3ccccc3c2)[nH]1.
What is the InChIKey of N-[(1S)-7-amino-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is TWHFSBFHHGSNDE-SFHVURJKSA-N. The full InChI is InChI=1S/C23H24N6O2S/c24-21(30)9-3-1-2-8-18(28-23(31)20-14-26-32-29-20)22-25-13-19(27-22)17-11-10-15-6-4-5-7-16(15)12-17/h4-7,10-14,18H,1-3,8-9H2,(H2,24,30)(H,25,27)(H,28,31)/t18-/m0/s1.
What are the key properties of N-[(1S)-7-amino-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,2,5-thiadiazole-3-carboxamide?
N-[(1S)-7-amino-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 448.55 g/mol, XLogP of 3.99, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-7-amino-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 90149337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).