2-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-N'-hydroxypentanediamide

C16H22N4O4S2 — CID 87633920

IUPAC2-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-N'-hydroxypentanediamide
SMILESCC(C)(C)c1cnc(CSc2cnc(C(CCC(=O)NO)C(N)=O)s2)o1
InChIInChI=1S/C16H22N4O4S2/c1-16(2,3)10-6-18-12(24-10)8-25-13-7-19-15(26-13)9(14(17)22)4-5-11(21)20-23/h6-7,9,23H,4-5,8H2,1-3H3,(H2,17,22)(H,20,21)
InChIKeyINPWGBPSPDHMLH-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.58
Rot. Bonds8

About 2-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-N'-hydroxypentanediamide

2-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-N'-hydroxypentanediamide (PubChem CID 87633920) has the molecular formula C16H22N4O4S2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-N'-hydroxypentanediamide.

Molecular Properties

Compound Name2-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-N'-hydroxypentanediamide
PubChem CID87633920
Molecular FormulaC16H22N4O4S2
Molecular Weight398.51 g/mol
Exact Mass398.11
IUPAC Name2-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-N'-hydroxypentanediamide
SMILESCC(C)(C)c1cnc(CSc2cnc(C(CCC(=O)NO)C(N)=O)s2)o1
InChIInChI=1S/C16H22N4O4S2/c1-16(2,3)10-6-18-12(24-10)8-25-13-7-19-15(26-13)9(14(17)22)4-5-11(21)20-23/h6-7,9,23H,4-5,8H2,1-3H3,(H2,17,22)(H,20,21)
InChIKeyINPWGBPSPDHMLH-UHFFFAOYSA-N
XLogP2.58
TPSA131.34 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.58
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-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-N'-hydroxyhexanediamide
CID 25226004
2-(4-aminophenyl)-N'-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]octanediamide
CID 88540031
N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]propanamide
CID 90701484
N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]pentanamide
CID 122692246
3-[4-[2-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]-N-hydroxypropanamide
CID 25226544
methyl 3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-3-oxopropanoate
CID 87531460
N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-N'-hydroxyoctanediamide
CID 25226543
1-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-(1-hydroxypropan-2-yl)urea
CID 22970811
3-amino-N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-phenylpropanamide
CID 87955349
N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-4-[6-(hydroxyamino)-6-oxohexoxy]benzamide
CID 25226546
N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[4-[1-(2-hydroxyethylamino)ethyl]phenyl]acetamide
CID 22006964
9-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-N-hydroxy-8-oxo-N-propan-2-ylnonanamide
CID 159945627

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-N'-hydroxypentanediamide?
The IUPAC name of 2-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-N'-hydroxypentanediamide (CID 87633920) is 2-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-N'-hydroxypentanediamide.
What is the SMILES notation for 2-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-N'-hydroxypentanediamide?
The canonical SMILES for 2-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-N'-hydroxypentanediamide is CC(C)(C)c1cnc(CSc2cnc(C(CCC(=O)NO)C(N)=O)s2)o1.
What is the InChIKey of 2-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-N'-hydroxypentanediamide?
The InChIKey is INPWGBPSPDHMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4S2/c1-16(2,3)10-6-18-12(24-10)8-25-13-7-19-15(26-13)9(14(17)22)4-5-11(21)20-23/h6-7,9,23H,4-5,8H2,1-3H3,(H2,17,22)(H,20,21).
What are the key properties of 2-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-N'-hydroxypentanediamide?
2-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-N'-hydroxypentanediamide has a molecular weight of 398.51 g/mol, XLogP of 2.58, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-N'-hydroxypentanediamide is sourced from PubChem (CID 87633920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).