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

C15H19N5O4S2 — CID 71468803

IUPACN-[(2S)-1-[[3-(hydroxyamino)-3-oxopropyl]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)NCCC(=O)NO
InChIInChI=1S/C15H19N5O4S2/c1-8(2)12(14(23)16-4-3-11(21)20-24)19-13(22)9-6-26-15(18-9)10-5-25-7-17-10/h5-8,12,24H,3-4H2,1-2H3,(H,16,23)(H,19,22)(H,20,21)/t12-/m0/s1
InChIKeyDBACUCRQRGQVQV-LBPRGKRZSA-N
MW397.48 g/mol
LogP1.03
Rot. Bonds8

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

N-[(2S)-1-[[3-(hydroxyamino)-3-oxopropyl]amino]-3-methyl-1-oxobutan-2-yl]-2-(1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 71468803) has the molecular formula C15H19N5O4S2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[(2S)-1-[[3-(hydroxyamino)-3-oxopropyl]amino]-3-methyl-1-oxobutan-2-yl]-2-(1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[[3-(hydroxyamino)-3-oxopropyl]amino]-3-methyl-1-oxobutan-2-yl]-2-(1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID71468803
Molecular FormulaC15H19N5O4S2
Molecular Weight397.48 g/mol
Exact Mass397.09
IUPAC NameN-[(2S)-1-[[3-(hydroxyamino)-3-oxopropyl]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)NCCC(=O)NO
InChIInChI=1S/C15H19N5O4S2/c1-8(2)12(14(23)16-4-3-11(21)20-24)19-13(22)9-6-26-15(18-9)10-5-25-7-17-10/h5-8,12,24H,3-4H2,1-2H3,(H,16,23)(H,19,22)(H,20,21)/t12-/m0/s1
InChIKeyDBACUCRQRGQVQV-LBPRGKRZSA-N
XLogP1.03
TPSA133.31 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.03
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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Related Compounds

N-[5-(hydroxyamino)-5-oxopentyl]-2-(1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide
CID 71468927
N-[5-(hydroxyamino)-5-oxopentyl]-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide
CID 71468928
N-(4-{[amino(imino)methyl]amino}butyl)-2,4'-bi-1,3-thiazole-4-carboxamide
CID 24856354
N-[(2S)-1-[[4-(hydroxyamino)-4-oxobutyl]amino]-3-methyl-1-oxobutan-2-yl]-2-(1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide
CID 71468801
N-[(2S)-1-[[3-(hydroxyamino)-3-oxopropyl]amino]-3-methyl-1-oxobutan-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide
CID 71468805
N-[(2S)-1-[[4-(hydroxyamino)-4-oxobutyl]amino]-3-methyl-1-oxobutan-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide
CID 71468924
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
N-[(2S)-1-[[2-(hydroxyamino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide
CID 71468804
Acetyldipeptide A2
CID 133737
2-[2-(2-acetamidoethyl)-1,3-thiazol-4-yl]-N-(3-methylbutyl)-1,3-thiazole-4-carboxamide
CID 325407
2-[2-(2-acetamidoethyl)-1,3-thiazol-4-yl]-N-pentyl-1,3-thiazole-4-carboxamide
CID 325516
N-[3-(4-aminobutylamino)propyl]-2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxamide
CID 15380913

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[3-(hydroxyamino)-3-oxopropyl]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-[[3-(hydroxyamino)-3-oxopropyl]amino]-3-methyl-1-oxobutan-2-yl]-2-(1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide (CID 71468803) is N-[(2S)-1-[[3-(hydroxyamino)-3-oxopropyl]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-[[3-(hydroxyamino)-3-oxopropyl]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-[[3-(hydroxyamino)-3-oxopropyl]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)NCCC(=O)NO.
What is the InChIKey of N-[(2S)-1-[[3-(hydroxyamino)-3-oxopropyl]amino]-3-methyl-1-oxobutan-2-yl]-2-(1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is DBACUCRQRGQVQV-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N5O4S2/c1-8(2)12(14(23)16-4-3-11(21)20-24)19-13(22)9-6-26-15(18-9)10-5-25-7-17-10/h5-8,12,24H,3-4H2,1-2H3,(H,16,23)(H,19,22)(H,20,21)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-[[3-(hydroxyamino)-3-oxopropyl]amino]-3-methyl-1-oxobutan-2-yl]-2-(1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide?
N-[(2S)-1-[[3-(hydroxyamino)-3-oxopropyl]amino]-3-methyl-1-oxobutan-2-yl]-2-(1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 1.03, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[3-(hydroxyamino)-3-oxopropyl]amino]-3-methyl-1-oxobutan-2-yl]-2-(1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71468803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).