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

C22H21FN4O2S — CID 3219165

IUPACN-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
SMILESO=C(NC1CCCC1)C(c1ccc(F)cc1)N(C(=O)c1csnn1)c1ccccc1
InChIInChI=1S/C22H21FN4O2S/c23-16-12-10-15(11-13-16)20(21(28)24-17-6-4-5-7-17)27(18-8-2-1-3-9-18)22(29)19-14-30-26-25-19/h1-3,8-14,17,20H,4-7H2,(H,24,28)
InChIKeyCQSUVGSYKKRAHQ-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.12
Rot. Bonds6

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

N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide (PubChem CID 3219165) has the molecular formula C22H21FN4O2S and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
PubChem CID3219165
Molecular FormulaC22H21FN4O2S
Molecular Weight424.50 g/mol
Exact Mass424.14
IUPAC NameN-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
SMILESO=C(NC1CCCC1)C(c1ccc(F)cc1)N(C(=O)c1csnn1)c1ccccc1
InChIInChI=1S/C22H21FN4O2S/c23-16-12-10-15(11-13-16)20(21(28)24-17-6-4-5-7-17)27(18-8-2-1-3-9-18)22(29)19-14-30-26-25-19/h1-3,8-14,17,20H,4-7H2,(H,24,28)
InChIKeyCQSUVGSYKKRAHQ-UHFFFAOYSA-N
XLogP4.12
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide?
The IUPAC name of N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide (CID 3219165) is N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide?
The canonical SMILES for N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide is O=C(NC1CCCC1)C(c1ccc(F)cc1)N(C(=O)c1csnn1)c1ccccc1.
What is the InChIKey of N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide?
The InChIKey is CQSUVGSYKKRAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2S/c23-16-12-10-15(11-13-16)20(21(28)24-17-6-4-5-7-17)27(18-8-2-1-3-9-18)22(29)19-14-30-26-25-19/h1-3,8-14,17,20H,4-7H2,(H,24,28).
What are the key properties of N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide?
N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide is sourced from PubChem (CID 3219165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).