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

C19H21FN4O2S — CID 3222363

IUPACN-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
SMILESO=C(NC1CCCC1)C(c1ccccc1F)N(C(=O)c1csnn1)C1CC1
InChIInChI=1S/C19H21FN4O2S/c20-15-8-4-3-7-14(15)17(18(25)21-12-5-1-2-6-12)24(13-9-10-13)19(26)16-11-27-23-22-16/h3-4,7-8,11-13,17H,1-2,5-6,9-10H2,(H,21,25)
InChIKeyDINREQOOUUELRN-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.08
Rot. Bonds6

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

N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide (PubChem CID 3222363) has the molecular formula C19H21FN4O2S and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
PubChem CID3222363
Molecular FormulaC19H21FN4O2S
Molecular Weight388.47 g/mol
Exact Mass388.14
IUPAC NameN-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
SMILESO=C(NC1CCCC1)C(c1ccccc1F)N(C(=O)c1csnn1)C1CC1
InChIInChI=1S/C19H21FN4O2S/c20-15-8-4-3-7-14(15)17(18(25)21-12-5-1-2-6-12)24(13-9-10-13)19(26)16-11-27-23-22-16/h3-4,7-8,11-13,17H,1-2,5-6,9-10H2,(H,21,25)
InChIKeyDINREQOOUUELRN-UHFFFAOYSA-N
XLogP3.08
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
CID 7435010
N-[(1S)-2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
CID 1467718
N-[2-(cyclohexylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
CID 3219469
N-cyclopropyl-N-[2-[(4-fluorophenyl)methylamino]-1-(2-methoxyphenyl)-2-oxoethyl]thiadiazole-4-carboxamide
CID 3222401
N-benzyl-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide
CID 7434931
N-(4-chlorophenyl)-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide
CID 3222027
N-[2-(tert-butylamino)-1-(2-chloro-6-fluorophenyl)-2-oxoethyl]-N-cyclopentylthiadiazole-4-carboxamide
CID 3222439
N-[(2S)-butan-2-yl]-N-[(1S)-1-(2-chloro-6-fluorophenyl)-2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide
CID 51508307
N-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
CID 3221783
N-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-N-cyclopentylthiadiazole-4-carboxamide
CID 3222430
N-cyclopropyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxo-1-pyridin-2-ylethyl]thiadiazole-4-carboxamide
CID 43815608
N-[(1R)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-cyclopropylthiadiazole-4-carboxamide
CID 7404533

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide?
The IUPAC name of N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide (CID 3222363) is N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide?
The canonical SMILES for N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide is O=C(NC1CCCC1)C(c1ccccc1F)N(C(=O)c1csnn1)C1CC1.
What is the InChIKey of N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide?
The InChIKey is DINREQOOUUELRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2S/c20-15-8-4-3-7-14(15)17(18(25)21-12-5-1-2-6-12)24(13-9-10-13)19(26)16-11-27-23-22-16/h3-4,7-8,11-13,17H,1-2,5-6,9-10H2,(H,21,25).
What are the key properties of N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide?
N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 3.08, 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-(2-fluorophenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide is sourced from PubChem (CID 3222363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).