N-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide

C24H27N5O2S — CID 3221783

IUPACN-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
SMILESCN(C)c1ccc(C(C(=O)NC2CCCC2)N(C(=O)c2csnn2)c2ccccc2)cc1
InChIInChI=1S/C24H27N5O2S/c1-28(2)19-14-12-17(13-15-19)22(23(30)25-18-8-6-7-9-18)29(20-10-4-3-5-11-20)24(31)21-16-32-27-26-21/h3-5,10-16,18,22H,6-9H2,1-2H3,(H,25,30)
InChIKeyRAQDYFLKIANYMW-UHFFFAOYSA-N
MW449.58 g/mol
LogP4.05
Rot. Bonds7

About N-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide

N-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide (PubChem CID 3221783) has the molecular formula C24H27N5O2S and a molecular weight of 449.58 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
PubChem CID3221783
Molecular FormulaC24H27N5O2S
Molecular Weight449.58 g/mol
Exact Mass449.19
IUPAC NameN-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
SMILESCN(C)c1ccc(C(C(=O)NC2CCCC2)N(C(=O)c2csnn2)c2ccccc2)cc1
InChIInChI=1S/C24H27N5O2S/c1-28(2)19-14-12-17(13-15-19)22(23(30)25-18-8-6-7-9-18)29(20-10-4-3-5-11-20)24(31)21-16-32-27-26-21/h3-5,10-16,18,22H,6-9H2,1-2H3,(H,25,30)
InChIKeyRAQDYFLKIANYMW-UHFFFAOYSA-N
XLogP4.05
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
CID 25410089
N-(4-chlorophenyl)-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide
CID 3222027
N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide
CID 3219206
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-phenylthiadiazole-4-carboxamide
CID 24792301
N-[(1R)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide
CID 7404338
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylthiadiazole-4-carboxamide
CID 7404331
N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylthiadiazole-4-carboxamide
CID 7404330
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2,4,6-trimethylphenyl)thiadiazole-4-carboxamide
CID 1467656
N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2,4,6-trimethylphenyl)thiadiazole-4-carboxamide
CID 3219361
N-[(1R)-2-(cyclopentylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
CID 1452011
N-[(1R)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-ethylphenyl)thiadiazole-4-carboxamide
CID 40573587
N-[(2R)-butan-2-yl]-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide
CID 7435130

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide?
The IUPAC name of N-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide (CID 3221783) is N-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide?
The canonical SMILES for N-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide is CN(C)c1ccc(C(C(=O)NC2CCCC2)N(C(=O)c2csnn2)c2ccccc2)cc1.
What is the InChIKey of N-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide?
The InChIKey is RAQDYFLKIANYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2S/c1-28(2)19-14-12-17(13-15-19)22(23(30)25-18-8-6-7-9-18)29(20-10-4-3-5-11-20)24(31)21-16-32-27-26-21/h3-5,10-16,18,22H,6-9H2,1-2H3,(H,25,30).
What are the key properties of N-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide?
N-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide has a molecular weight of 449.58 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide is sourced from PubChem (CID 3221783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).