N-[(2S)-1-[[2-(hydroxyamino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-(1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide

C14H17N5O4S2 — CID 71468802

IUPACN-[(2S)-1-[[2-(hydroxyamino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-(1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)[C@H](NC(=O)c1csc(-c2cscn2)n1)C(=O)NCC(=O)NO
InChIInChI=1S/C14H17N5O4S2/c1-7(2)11(13(22)15-3-10(20)19-23)18-12(21)8-5-25-14(17-8)9-4-24-6-16-9/h4-7,11,23H,3H2,1-2H3,(H,15,22)(H,18,21)(H,19,20)/t11-/m0/s1
InChIKeyBMPSPOVMEGTENM-NSHDSACASA-N
MW383.46 g/mol
LogP0.64
Rot. Bonds7

About N-[(2S)-1-[[2-(hydroxyamino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-(1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide

N-[(2S)-1-[[2-(hydroxyamino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-(1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 71468802) has the molecular formula C14H17N5O4S2 and a molecular weight of 383.46 g/mol. Its IUPAC name is N-[(2S)-1-[[2-(hydroxyamino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-(1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[[2-(hydroxyamino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-(1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID71468802
Molecular FormulaC14H17N5O4S2
Molecular Weight383.46 g/mol
Exact Mass383.07
IUPAC NameN-[(2S)-1-[[2-(hydroxyamino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-(1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)[C@H](NC(=O)c1csc(-c2cscn2)n1)C(=O)NCC(=O)NO
InChIInChI=1S/C14H17N5O4S2/c1-7(2)11(13(22)15-3-10(20)19-23)18-12(21)8-5-25-14(17-8)9-4-24-6-16-9/h4-7,11,23H,3H2,1-2H3,(H,15,22)(H,18,21)(H,19,20)/t11-/m0/s1
InChIKeyBMPSPOVMEGTENM-NSHDSACASA-N
XLogP0.64
TPSA133.31 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 50.64
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[2-(hydroxyamino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-(1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2S)-1-[[2-(hydroxyamino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-(1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide (CID 71468802) is N-[(2S)-1-[[2-(hydroxyamino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-(1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-[[2-(hydroxyamino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-(1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2S)-1-[[2-(hydroxyamino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-(1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide is CC(C)[C@H](NC(=O)c1csc(-c2cscn2)n1)C(=O)NCC(=O)NO.
What is the InChIKey of N-[(2S)-1-[[2-(hydroxyamino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-(1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is BMPSPOVMEGTENM-NSHDSACASA-N. The full InChI is InChI=1S/C14H17N5O4S2/c1-7(2)11(13(22)15-3-10(20)19-23)18-12(21)8-5-25-14(17-8)9-4-24-6-16-9/h4-7,11,23H,3H2,1-2H3,(H,15,22)(H,18,21)(H,19,20)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-[[2-(hydroxyamino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-(1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide?
N-[(2S)-1-[[2-(hydroxyamino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-(1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 383.46 g/mol, XLogP of 0.64, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[2-(hydroxyamino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-(1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71468802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).