[5-oxo-5-(1,3-thiazol-2-yl)pentyl] carbamate

C9H12N2O3S — CID 18788248

IUPAC[5-oxo-5-(1,3-thiazol-2-yl)pentyl] carbamate
SMILESNC(=O)OCCCCC(=O)c1nccs1
InChIInChI=1S/C9H12N2O3S/c10-9(13)14-5-2-1-3-7(12)8-11-4-6-15-8/h4,6H,1-3,5H2,(H2,10,13)
InChIKeyVNGXWADUGAEDQQ-UHFFFAOYSA-N
MW228.27 g/mol
LogP1.59
Rot. Bonds6

About [5-oxo-5-(1,3-thiazol-2-yl)pentyl] carbamate

[5-oxo-5-(1,3-thiazol-2-yl)pentyl] carbamate (PubChem CID 18788248) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is [5-oxo-5-(1,3-thiazol-2-yl)pentyl] carbamate.

Molecular Properties

Compound Name[5-oxo-5-(1,3-thiazol-2-yl)pentyl] carbamate
PubChem CID18788248
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Name[5-oxo-5-(1,3-thiazol-2-yl)pentyl] carbamate
SMILESNC(=O)OCCCCC(=O)c1nccs1
InChIInChI=1S/C9H12N2O3S/c10-9(13)14-5-2-1-3-7(12)8-11-4-6-15-8/h4,6H,1-3,5H2,(H2,10,13)
InChIKeyVNGXWADUGAEDQQ-UHFFFAOYSA-N
XLogP1.59
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-oxo-5-(1,3-thiazol-2-yl)pentyl] carbamate?
The IUPAC name of [5-oxo-5-(1,3-thiazol-2-yl)pentyl] carbamate (CID 18788248) is [5-oxo-5-(1,3-thiazol-2-yl)pentyl] carbamate.
What is the SMILES notation for [5-oxo-5-(1,3-thiazol-2-yl)pentyl] carbamate?
The canonical SMILES for [5-oxo-5-(1,3-thiazol-2-yl)pentyl] carbamate is NC(=O)OCCCCC(=O)c1nccs1.
What is the InChIKey of [5-oxo-5-(1,3-thiazol-2-yl)pentyl] carbamate?
The InChIKey is VNGXWADUGAEDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c10-9(13)14-5-2-1-3-7(12)8-11-4-6-15-8/h4,6H,1-3,5H2,(H2,10,13).
What are the key properties of [5-oxo-5-(1,3-thiazol-2-yl)pentyl] carbamate?
[5-oxo-5-(1,3-thiazol-2-yl)pentyl] carbamate has a molecular weight of 228.27 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-oxo-5-(1,3-thiazol-2-yl)pentyl] carbamate is sourced from PubChem (CID 18788248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).