N-[2-(cyclopentylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]thiadiazole-4-carboxamide

C17H19FN4O2S — CID 1467660

IUPACN-[2-(cyclopentylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]thiadiazole-4-carboxamide
SMILESO=C(CN(Cc1ccc(F)cc1)C(=O)c1csnn1)NC1CCCC1
InChIInChI=1S/C17H19FN4O2S/c18-13-7-5-12(6-8-13)9-22(17(24)15-11-25-21-20-15)10-16(23)19-14-3-1-2-4-14/h5-8,11,14H,1-4,9-10H2,(H,19,23)
InChIKeyMOMXHZDSWQLVMN-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.38
Rot. Bonds6

About N-[2-(cyclopentylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]thiadiazole-4-carboxamide

N-[2-(cyclopentylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]thiadiazole-4-carboxamide (PubChem CID 1467660) has the molecular formula C17H19FN4O2S and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]thiadiazole-4-carboxamide
PubChem CID1467660
Molecular FormulaC17H19FN4O2S
Molecular Weight362.43 g/mol
Exact Mass362.12
IUPAC NameN-[2-(cyclopentylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]thiadiazole-4-carboxamide
SMILESO=C(CN(Cc1ccc(F)cc1)C(=O)c1csnn1)NC1CCCC1
InChIInChI=1S/C17H19FN4O2S/c18-13-7-5-12(6-8-13)9-22(17(24)15-11-25-21-20-15)10-16(23)19-14-3-1-2-4-14/h5-8,11,14H,1-4,9-10H2,(H,19,23)
InChIKeyMOMXHZDSWQLVMN-UHFFFAOYSA-N
XLogP2.38
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-N-[2-(cyclohexylamino)-2-oxoethyl]thiadiazole-4-carboxamide
CID 1467680
N-[2-(cyclohexylamino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]thiadiazole-4-carboxamide
CID 3222275
4-amino-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3,5-dicarboxamide
CID 23770479
N-[2-(cyclohexylamino)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
CID 1467732
N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-[(4-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)butanediamide
CID 3205407
N-[(1R)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide
CID 1467762
N-(4-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide
CID 24761911
N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide
CID 1467648
N-benzyl-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide
CID 7434931
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3,4-dimethylphenyl)thiadiazole-4-carboxamide
CID 3219269
N-[2-(cyclohexylamino)-2-oxoethyl]-N-(3,5-dimethylphenyl)thiadiazole-4-carboxamide
CID 3219279
N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-fluorophenyl)thiadiazole-4-carboxamide
CID 25410008

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]thiadiazole-4-carboxamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]thiadiazole-4-carboxamide (CID 1467660) is N-[2-(cyclopentylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]thiadiazole-4-carboxamide is O=C(CN(Cc1ccc(F)cc1)C(=O)c1csnn1)NC1CCCC1.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]thiadiazole-4-carboxamide?
The InChIKey is MOMXHZDSWQLVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2S/c18-13-7-5-12(6-8-13)9-22(17(24)15-11-25-21-20-15)10-16(23)19-14-3-1-2-4-14/h5-8,11,14H,1-4,9-10H2,(H,19,23).
What are the key properties of N-[2-(cyclopentylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]thiadiazole-4-carboxamide?
N-[2-(cyclopentylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]thiadiazole-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 1467660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).