N-[7-(hydroxyamino)-7-oxoheptyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide

C18H26N4O3S2 — CID 71468053

IUPACN-[7-(hydroxyamino)-7-oxoheptyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)Cc1sc(-c2nccs2)nc1C(=O)NCCCCCCC(=O)NO
InChIInChI=1S/C18H26N4O3S2/c1-12(2)11-13-15(21-18(27-13)17-20-9-10-26-17)16(24)19-8-6-4-3-5-7-14(23)22-25/h9-10,12,25H,3-8,11H2,1-2H3,(H,19,24)(H,22,23)
InChIKeyVICGYCJTRDYPSI-UHFFFAOYSA-N
MW410.57 g/mol
LogP3.65
Rot. Bonds11

About N-[7-(hydroxyamino)-7-oxoheptyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide

N-[7-(hydroxyamino)-7-oxoheptyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 71468053) has the molecular formula C18H26N4O3S2 and a molecular weight of 410.57 g/mol. Its IUPAC name is N-[7-(hydroxyamino)-7-oxoheptyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[7-(hydroxyamino)-7-oxoheptyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID71468053
Molecular FormulaC18H26N4O3S2
Molecular Weight410.57 g/mol
Exact Mass410.14
IUPAC NameN-[7-(hydroxyamino)-7-oxoheptyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)Cc1sc(-c2nccs2)nc1C(=O)NCCCCCCC(=O)NO
InChIInChI=1S/C18H26N4O3S2/c1-12(2)11-13-15(21-18(27-13)17-20-9-10-26-17)16(24)19-8-6-4-3-5-7-14(23)22-25/h9-10,12,25H,3-8,11H2,1-2H3,(H,19,24)(H,22,23)
InChIKeyVICGYCJTRDYPSI-UHFFFAOYSA-N
XLogP3.65
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.57
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-[7-(hydroxyamino)-7-oxoheptyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[7-(hydroxyamino)-7-oxoheptyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (CID 71468053) is N-[7-(hydroxyamino)-7-oxoheptyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[7-(hydroxyamino)-7-oxoheptyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[7-(hydroxyamino)-7-oxoheptyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is CC(C)Cc1sc(-c2nccs2)nc1C(=O)NCCCCCCC(=O)NO.
What is the InChIKey of N-[7-(hydroxyamino)-7-oxoheptyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is VICGYCJTRDYPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S2/c1-12(2)11-13-15(21-18(27-13)17-20-9-10-26-17)16(24)19-8-6-4-3-5-7-14(23)22-25/h9-10,12,25H,3-8,11H2,1-2H3,(H,19,24)(H,22,23).
What are the key properties of N-[7-(hydroxyamino)-7-oxoheptyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
N-[7-(hydroxyamino)-7-oxoheptyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 410.57 g/mol, XLogP of 3.65, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(hydroxyamino)-7-oxoheptyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71468053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).