(2S)-N-[2-(hydroxyamino)-2-oxoethyl]-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanamide

C15H18N4O4S2 — CID 159771048

IUPAC(2S)-N-[2-(hydroxyamino)-2-oxoethyl]-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanamide
SMILESCC(C)[C@H](CC(=O)c1csc(-c2cscn2)n1)C(=O)NCC(=O)NO
InChIInChI=1S/C15H18N4O4S2/c1-8(2)9(14(22)16-4-13(21)19-23)3-12(20)10-6-25-15(18-10)11-5-24-7-17-11/h5-9,23H,3-4H2,1-2H3,(H,16,22)(H,19,21)/t9-/m0/s1
InChIKeyWLIVDDPNQJTDBJ-VIFPVBQESA-N
MW382.47 g/mol
LogP1.73
Rot. Bonds8

About (2S)-N-[2-(hydroxyamino)-2-oxoethyl]-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanamide

(2S)-N-[2-(hydroxyamino)-2-oxoethyl]-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanamide (PubChem CID 159771048) has the molecular formula C15H18N4O4S2 and a molecular weight of 382.47 g/mol. Its IUPAC name is (2S)-N-[2-(hydroxyamino)-2-oxoethyl]-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanamide.

Molecular Properties

Compound Name(2S)-N-[2-(hydroxyamino)-2-oxoethyl]-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanamide
PubChem CID159771048
Molecular FormulaC15H18N4O4S2
Molecular Weight382.47 g/mol
Exact Mass382.08
IUPAC Name(2S)-N-[2-(hydroxyamino)-2-oxoethyl]-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanamide
SMILESCC(C)[C@H](CC(=O)c1csc(-c2cscn2)n1)C(=O)NCC(=O)NO
InChIInChI=1S/C15H18N4O4S2/c1-8(2)9(14(22)16-4-13(21)19-23)3-12(20)10-6-25-15(18-10)11-5-24-7-17-11/h5-9,23H,3-4H2,1-2H3,(H,16,22)(H,19,21)/t9-/m0/s1
InChIKeyWLIVDDPNQJTDBJ-VIFPVBQESA-N
XLogP1.73
TPSA121.28 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

N-hydroxy-5-oxo-5-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]pentanamide
CID 90048471
(2S)-N-[3-(hydroxyamino)-3-oxopropyl]-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanamide
CID 147089342
N-hydroxy-7-oxo-7-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]heptanamide
CID 147234087
(2S)-N-[4-(hydroxyamino)-4-oxobutyl]-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanamide
CID 148625996
tert-butyl N-[[4-[4-[8-(hydroxyamino)-8-oxooctanoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]methyl]carbamate
CID 159195964
(2S)-N-[2-(hydroxyamino)-2-oxoethyl]-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanamide
CID 159771049
(2S)-N-[4-(hydroxyamino)-4-oxobutyl]-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanamide
CID 159771051
(2S)-N-[3-(hydroxyamino)-3-oxopropyl]-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylbutanamide
CID 159771052
(2S)-4-oxo-N-(2-oxopropyl)-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanamide
CID 160064388
(2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-oxo-N-(2-oxopropyl)-2-propan-2-ylbutanamide
CID 160064389
(2S)-4-oxo-N-(3-oxobutyl)-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanamide
CID 160064390
(2S)-4-oxo-N-(4-oxopentyl)-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanamide
CID 160064391

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(hydroxyamino)-2-oxoethyl]-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanamide?
The IUPAC name of (2S)-N-[2-(hydroxyamino)-2-oxoethyl]-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanamide (CID 159771048) is (2S)-N-[2-(hydroxyamino)-2-oxoethyl]-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanamide.
What is the SMILES notation for (2S)-N-[2-(hydroxyamino)-2-oxoethyl]-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanamide?
The canonical SMILES for (2S)-N-[2-(hydroxyamino)-2-oxoethyl]-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanamide is CC(C)[C@H](CC(=O)c1csc(-c2cscn2)n1)C(=O)NCC(=O)NO.
What is the InChIKey of (2S)-N-[2-(hydroxyamino)-2-oxoethyl]-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanamide?
The InChIKey is WLIVDDPNQJTDBJ-VIFPVBQESA-N. The full InChI is InChI=1S/C15H18N4O4S2/c1-8(2)9(14(22)16-4-13(21)19-23)3-12(20)10-6-25-15(18-10)11-5-24-7-17-11/h5-9,23H,3-4H2,1-2H3,(H,16,22)(H,19,21)/t9-/m0/s1.
What are the key properties of (2S)-N-[2-(hydroxyamino)-2-oxoethyl]-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanamide?
(2S)-N-[2-(hydroxyamino)-2-oxoethyl]-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanamide has a molecular weight of 382.47 g/mol, XLogP of 1.73, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(hydroxyamino)-2-oxoethyl]-4-oxo-2-propan-2-yl-4-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]butanamide is sourced from PubChem (CID 159771048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).