3-[(1S)-1-[(2-cyclopentylacetyl)amino]ethyl]-N-hydroxy-1,2-thiazole-5-carboxamide

C13H19N3O3S — CID 58418297

IUPAC3-[(1S)-1-[(2-cyclopentylacetyl)amino]ethyl]-N-hydroxy-1,2-thiazole-5-carboxamide
SMILESC[C@H](NC(=O)CC1CCCC1)c1cc(C(=O)NO)sn1
InChIInChI=1S/C13H19N3O3S/c1-8(10-7-11(20-16-10)13(18)15-19)14-12(17)6-9-4-2-3-5-9/h7-9,19H,2-6H2,1H3,(H,14,17)(H,15,18)/t8-/m0/s1
InChIKeyMETHWAPFLFWDCD-QMMMGPOBSA-N
MW297.38 g/mol
LogP2.02
Rot. Bonds5

About 3-[(1S)-1-[(2-cyclopentylacetyl)amino]ethyl]-N-hydroxy-1,2-thiazole-5-carboxamide

3-[(1S)-1-[(2-cyclopentylacetyl)amino]ethyl]-N-hydroxy-1,2-thiazole-5-carboxamide (PubChem CID 58418297) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 3-[(1S)-1-[(2-cyclopentylacetyl)amino]ethyl]-N-hydroxy-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound Name3-[(1S)-1-[(2-cyclopentylacetyl)amino]ethyl]-N-hydroxy-1,2-thiazole-5-carboxamide
PubChem CID58418297
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name3-[(1S)-1-[(2-cyclopentylacetyl)amino]ethyl]-N-hydroxy-1,2-thiazole-5-carboxamide
SMILESC[C@H](NC(=O)CC1CCCC1)c1cc(C(=O)NO)sn1
InChIInChI=1S/C13H19N3O3S/c1-8(10-7-11(20-16-10)13(18)15-19)14-12(17)6-9-4-2-3-5-9/h7-9,19H,2-6H2,1H3,(H,14,17)(H,15,18)/t8-/m0/s1
InChIKeyMETHWAPFLFWDCD-QMMMGPOBSA-N
XLogP2.02
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

2-cyclopentyl-N-[(1R)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 95620387
2-[1-[(2-cyclopentylacetyl)amino]butyl]-N-hydroxypyridine-4-carboxamide
CID 123809890
4-[1-[(2-cyclopentylacetyl)amino]ethyl]furan-2-carboxamide
CID 123423235
2-cyclopentyl-N-[1-(2,4-difluorophenyl)ethyl]acetamide
CID 78778579
2-cyclopentyl-N-[(1R)-1-(2-fluorophenyl)ethyl]acetamide
CID 51968745
2-cyclopentyl-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 27811841
N-(1-chloro-3-methylbutan-2-yl)-2-cyclopentylacetamide
CID 114305487
2-cyclohexyl-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 51144509
(2S)-2-[(2-cyclohexylacetyl)amino]propanoic acid
CID 51604978
N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-2-cyclohexylacetamide
CID 94066099
2-cyclopentyl-N-[1-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 134002861
2-cyclohexyl-N-[2-oxo-2-[[(1R)-1-pyridin-4-ylethyl]amino]ethyl]acetamide
CID 95282016

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-[(2-cyclopentylacetyl)amino]ethyl]-N-hydroxy-1,2-thiazole-5-carboxamide?
The IUPAC name of 3-[(1S)-1-[(2-cyclopentylacetyl)amino]ethyl]-N-hydroxy-1,2-thiazole-5-carboxamide (CID 58418297) is 3-[(1S)-1-[(2-cyclopentylacetyl)amino]ethyl]-N-hydroxy-1,2-thiazole-5-carboxamide.
What is the SMILES notation for 3-[(1S)-1-[(2-cyclopentylacetyl)amino]ethyl]-N-hydroxy-1,2-thiazole-5-carboxamide?
The canonical SMILES for 3-[(1S)-1-[(2-cyclopentylacetyl)amino]ethyl]-N-hydroxy-1,2-thiazole-5-carboxamide is C[C@H](NC(=O)CC1CCCC1)c1cc(C(=O)NO)sn1.
What is the InChIKey of 3-[(1S)-1-[(2-cyclopentylacetyl)amino]ethyl]-N-hydroxy-1,2-thiazole-5-carboxamide?
The InChIKey is METHWAPFLFWDCD-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-8(10-7-11(20-16-10)13(18)15-19)14-12(17)6-9-4-2-3-5-9/h7-9,19H,2-6H2,1H3,(H,14,17)(H,15,18)/t8-/m0/s1.
What are the key properties of 3-[(1S)-1-[(2-cyclopentylacetyl)amino]ethyl]-N-hydroxy-1,2-thiazole-5-carboxamide?
3-[(1S)-1-[(2-cyclopentylacetyl)amino]ethyl]-N-hydroxy-1,2-thiazole-5-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 2.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-[(2-cyclopentylacetyl)amino]ethyl]-N-hydroxy-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 58418297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).