(2S)-1-N-(2-cyclopentylethyl)-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide

C18H28N6O4S — CID 59908762

IUPAC(2S)-1-N-(2-cyclopentylethyl)-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide
SMILESCc1nnc(NC(=O)[C@@H]2CCCN2C(=O)N(CCC2CCCC2)CC(=O)NO)s1
InChIInChI=1S/C18H28N6O4S/c1-12-20-21-17(29-12)19-16(26)14-7-4-9-24(14)18(27)23(11-15(25)22-28)10-8-13-5-2-3-6-13/h13-14,28H,2-11H2,1H3,(H,22,25)(H,19,21,26)/t14-/m0/s1
InChIKeyQZCXAVCASPGVKC-AWEZNQCLSA-N
MW424.53 g/mol
LogP1.76
Rot. Bonds7

About (2S)-1-N-(2-cyclopentylethyl)-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide

(2S)-1-N-(2-cyclopentylethyl)-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide (PubChem CID 59908762) has the molecular formula C18H28N6O4S and a molecular weight of 424.53 g/mol. Its IUPAC name is (2S)-1-N-(2-cyclopentylethyl)-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-1-N-(2-cyclopentylethyl)-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide
PubChem CID59908762
Molecular FormulaC18H28N6O4S
Molecular Weight424.53 g/mol
Exact Mass424.19
IUPAC Name(2S)-1-N-(2-cyclopentylethyl)-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide
SMILESCc1nnc(NC(=O)[C@@H]2CCCN2C(=O)N(CCC2CCCC2)CC(=O)NO)s1
InChIInChI=1S/C18H28N6O4S/c1-12-20-21-17(29-12)19-16(26)14-7-4-9-24(14)18(27)23(11-15(25)22-28)10-8-13-5-2-3-6-13/h13-14,28H,2-11H2,1H3,(H,22,25)(H,19,21,26)/t14-/m0/s1
InChIKeyQZCXAVCASPGVKC-AWEZNQCLSA-N
XLogP1.76
TPSA127.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-1-N-(3-methylbutyl)-2-N-(4-propan-2-ylphenyl)pyrrolidine-1,2-dicarboxamide
CID 59908765
1-[1-[2-aminoprop-2-enyl(2-cyclopentylethyl)amino]ethenyl]-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 142070721
ethyl 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 43926612
(2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-(3-methylbutyl)-1-N-(4-methylpentyl)pyrrolidine-1,2-dicarboxamide
CID 59908753
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 20757885
1-[1-[2-aminoprop-2-enyl(2-cyclopentylethyl)amino]ethenyl]-N-(4-methylphenyl)pyrrolidine-2-carboxamide;heptane
CID 142070720
1-(benzenesulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide
CID 18077763
(2R)-2-(1,3-dioxolan-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 95268925
1-(2,2,2-trifluoroacetyl)-N-[5-[2-[2-[5-[[(2S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carbonyl]amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 144921993
1-N-tert-butyl-2-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 3600547
cis-(1R,2S)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2169381
tert-butyl 2-[[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]carbamoyl]piperidine-1-carboxylate
CID 56549084

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-(2-cyclopentylethyl)-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-1-N-(2-cyclopentylethyl)-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide (CID 59908762) is (2S)-1-N-(2-cyclopentylethyl)-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-1-N-(2-cyclopentylethyl)-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-1-N-(2-cyclopentylethyl)-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide is Cc1nnc(NC(=O)[C@@H]2CCCN2C(=O)N(CCC2CCCC2)CC(=O)NO)s1.
What is the InChIKey of (2S)-1-N-(2-cyclopentylethyl)-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is QZCXAVCASPGVKC-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H28N6O4S/c1-12-20-21-17(29-12)19-16(26)14-7-4-9-24(14)18(27)23(11-15(25)22-28)10-8-13-5-2-3-6-13/h13-14,28H,2-11H2,1H3,(H,22,25)(H,19,21,26)/t14-/m0/s1.
What are the key properties of (2S)-1-N-(2-cyclopentylethyl)-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide?
(2S)-1-N-(2-cyclopentylethyl)-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 424.53 g/mol, XLogP of 1.76, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-(2-cyclopentylethyl)-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 59908762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).