N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-fluorophenyl)thiadiazole-4-carboxamide

C20H19FN4O2S2 — CID 1467629

IUPACN-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-fluorophenyl)thiadiazole-4-carboxamide
SMILESO=C(NC1CCCC1)[C@@H](c1cccs1)N(C(=O)c1csnn1)c1cccc(F)c1
InChIInChI=1S/C20H19FN4O2S2/c21-13-5-3-8-15(11-13)25(20(27)16-12-29-24-23-16)18(17-9-4-10-28-17)19(26)22-14-6-1-2-7-14/h3-5,8-12,14,18H,1-2,6-7H2,(H,22,26)/t18-/m1/s1
InChIKeyBKKJZIASUGUQKK-GOSISDBHSA-N
MW430.53 g/mol
LogP4.19
Rot. Bonds6

About N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-fluorophenyl)thiadiazole-4-carboxamide

N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-fluorophenyl)thiadiazole-4-carboxamide (PubChem CID 1467629) has the molecular formula C20H19FN4O2S2 and a molecular weight of 430.53 g/mol. Its IUPAC name is N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-fluorophenyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-fluorophenyl)thiadiazole-4-carboxamide
PubChem CID1467629
Molecular FormulaC20H19FN4O2S2
Molecular Weight430.53 g/mol
Exact Mass430.09
IUPAC NameN-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-fluorophenyl)thiadiazole-4-carboxamide
SMILESO=C(NC1CCCC1)[C@@H](c1cccs1)N(C(=O)c1csnn1)c1cccc(F)c1
InChIInChI=1S/C20H19FN4O2S2/c21-13-5-3-8-15(11-13)25(20(27)16-12-29-24-23-16)18(17-9-4-10-28-17)19(26)22-14-6-1-2-7-14/h3-5,8-12,14,18H,1-2,6-7H2,(H,22,26)/t18-/m1/s1
InChIKeyBKKJZIASUGUQKK-GOSISDBHSA-N
XLogP4.19
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-fluorophenyl)thiadiazole-4-carboxamide
CID 25410008
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-[(1R)-2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(3-fluorophenyl)thiadiazole-4-carboxamide
CID 1467625
N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methoxyphenyl)thiadiazole-4-carboxamide
CID 1467642
N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide
CID 3219198
N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylpyridine-2-carboxamide
CID 1439570
N-(3-acetylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]pyridine-2-carboxamide
CID 40782591
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(3-fluorophenyl)thiophene-2-carboxamide
CID 1465576
N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide
CID 3219206
N-[(1R)-2-(cyclopentylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
CID 1452011
N-(3-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]pyrazine-2-carboxamide
CID 43811532

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-fluorophenyl)thiadiazole-4-carboxamide?
The IUPAC name of N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-fluorophenyl)thiadiazole-4-carboxamide (CID 1467629) is N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-fluorophenyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-fluorophenyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-fluorophenyl)thiadiazole-4-carboxamide is O=C(NC1CCCC1)[C@@H](c1cccs1)N(C(=O)c1csnn1)c1cccc(F)c1.
What is the InChIKey of N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-fluorophenyl)thiadiazole-4-carboxamide?
The InChIKey is BKKJZIASUGUQKK-GOSISDBHSA-N. The full InChI is InChI=1S/C20H19FN4O2S2/c21-13-5-3-8-15(11-13)25(20(27)16-12-29-24-23-16)18(17-9-4-10-28-17)19(26)22-14-6-1-2-7-14/h3-5,8-12,14,18H,1-2,6-7H2,(H,22,26)/t18-/m1/s1.
What are the key properties of N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-fluorophenyl)thiadiazole-4-carboxamide?
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-fluorophenyl)thiadiazole-4-carboxamide has a molecular weight of 430.53 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-fluorophenyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 1467629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).