N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(oxolan-2-ylmethyl)thiadiazole-4-carboxamide

C19H24N4O3S2 — CID 3222543

IUPACN-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(oxolan-2-ylmethyl)thiadiazole-4-carboxamide
SMILESO=C(NC1CCCC1)C(c1cccs1)N(CC1CCCO1)C(=O)c1csnn1
InChIInChI=1S/C19H24N4O3S2/c24-18(20-13-5-1-2-6-13)17(16-8-4-10-27-16)23(11-14-7-3-9-26-14)19(25)15-12-28-22-21-15/h4,8,10,12-14,17H,1-3,5-7,9,11H2,(H,20,24)
InChIKeyLFMYOECEINIWGN-UHFFFAOYSA-N
MW420.56 g/mol
LogP3.02
Rot. Bonds7

About N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(oxolan-2-ylmethyl)thiadiazole-4-carboxamide

N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(oxolan-2-ylmethyl)thiadiazole-4-carboxamide (PubChem CID 3222543) has the molecular formula C19H24N4O3S2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(oxolan-2-ylmethyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(oxolan-2-ylmethyl)thiadiazole-4-carboxamide
PubChem CID3222543
Molecular FormulaC19H24N4O3S2
Molecular Weight420.56 g/mol
Exact Mass420.13
IUPAC NameN-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(oxolan-2-ylmethyl)thiadiazole-4-carboxamide
SMILESO=C(NC1CCCC1)C(c1cccs1)N(CC1CCCO1)C(=O)c1csnn1
InChIInChI=1S/C19H24N4O3S2/c24-18(20-13-5-1-2-6-13)17(16-8-4-10-27-16)23(11-14-7-3-9-26-14)19(25)15-12-28-22-21-15/h4,8,10,12-14,17H,1-3,5-7,9,11H2,(H,20,24)
InChIKeyLFMYOECEINIWGN-UHFFFAOYSA-N
XLogP3.02
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1S)-2-(tert-butylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[[(2S)-oxolan-2-yl]methyl]thiadiazole-4-carboxamide
CID 7435206
N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-methylbutyl)thiadiazole-4-carboxamide
CID 3219349
N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-phenylethyl)thiadiazole-4-carboxamide
CID 3219426
N-[(1S)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide
CID 7404530
N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylthiadiazole-4-carboxamide
CID 7404330
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylthiadiazole-4-carboxamide
CID 7404331
N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide
CID 3219198
(3S)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[[(2R)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 25303121
N-cyclohexyl-N'-[2-(furan-2-ylmethylamino)-2-oxo-1-thiophen-2-ylethyl]-N'-(oxolan-2-ylmethyl)oxamide
CID 3220019
N-cyclopentyl-2-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]-2-thiophen-2-ylacetamide
CID 3180389
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-(3-fluorophenyl)thiadiazole-4-carboxamide
CID 1467629

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(oxolan-2-ylmethyl)thiadiazole-4-carboxamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(oxolan-2-ylmethyl)thiadiazole-4-carboxamide (CID 3222543) is N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(oxolan-2-ylmethyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(oxolan-2-ylmethyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(oxolan-2-ylmethyl)thiadiazole-4-carboxamide is O=C(NC1CCCC1)C(c1cccs1)N(CC1CCCO1)C(=O)c1csnn1.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(oxolan-2-ylmethyl)thiadiazole-4-carboxamide?
The InChIKey is LFMYOECEINIWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S2/c24-18(20-13-5-1-2-6-13)17(16-8-4-10-27-16)23(11-14-7-3-9-26-14)19(25)15-12-28-22-21-15/h4,8,10,12-14,17H,1-3,5-7,9,11H2,(H,20,24).
What are the key properties of N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(oxolan-2-ylmethyl)thiadiazole-4-carboxamide?
N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(oxolan-2-ylmethyl)thiadiazole-4-carboxamide has a molecular weight of 420.56 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(oxolan-2-ylmethyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 3222543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).