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

C17H24N4O4S2 — CID 25226004

IUPACN-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-N'-hydroxyhexanediamide
SMILESCC(C)(C)c1cnc(CSc2cnc(NC(=O)CCCCC(=O)NO)s2)o1
InChIInChI=1S/C17H24N4O4S2/c1-17(2,3)11-8-18-14(25-11)10-26-15-9-19-16(27-15)20-12(22)6-4-5-7-13(23)21-24/h8-9,24H,4-7,10H2,1-3H3,(H,21,23)(H,19,20,22)
InChIKeySNMMJBCMTCRCSM-UHFFFAOYSA-N
MW412.54 g/mol
LogP3.73
Rot. Bonds9

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

N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-N'-hydroxyhexanediamide (PubChem CID 25226004) has the molecular formula C17H24N4O4S2 and a molecular weight of 412.54 g/mol. Its IUPAC name is N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-N'-hydroxyhexanediamide.

Molecular Properties

Compound NameN-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-N'-hydroxyhexanediamide
PubChem CID25226004
Molecular FormulaC17H24N4O4S2
Molecular Weight412.54 g/mol
Exact Mass412.12
IUPAC NameN-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-N'-hydroxyhexanediamide
SMILESCC(C)(C)c1cnc(CSc2cnc(NC(=O)CCCCC(=O)NO)s2)o1
InChIInChI=1S/C17H24N4O4S2/c1-17(2,3)11-8-18-14(25-11)10-26-15-9-19-16(27-15)20-12(22)6-4-5-7-13(23)21-24/h8-9,24H,4-7,10H2,1-3H3,(H,21,23)(H,19,20,22)
InChIKeySNMMJBCMTCRCSM-UHFFFAOYSA-N
XLogP3.73
TPSA117.35 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-N'-hydroxyhexanediamide?
The IUPAC name of N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-N'-hydroxyhexanediamide (CID 25226004) is N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-N'-hydroxyhexanediamide.
What is the SMILES notation for N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-N'-hydroxyhexanediamide?
The canonical SMILES for N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-N'-hydroxyhexanediamide is CC(C)(C)c1cnc(CSc2cnc(NC(=O)CCCCC(=O)NO)s2)o1.
What is the InChIKey of N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-N'-hydroxyhexanediamide?
The InChIKey is SNMMJBCMTCRCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4S2/c1-17(2,3)11-8-18-14(25-11)10-26-15-9-19-16(27-15)20-12(22)6-4-5-7-13(23)21-24/h8-9,24H,4-7,10H2,1-3H3,(H,21,23)(H,19,20,22).
What are the key properties of N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-N'-hydroxyhexanediamide?
N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-N'-hydroxyhexanediamide has a molecular weight of 412.54 g/mol, XLogP of 3.73, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-N'-hydroxyhexanediamide is sourced from PubChem (CID 25226004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).