tert-butyl N-[2-(1,3-thiazole-2-carbonylamino)ethyl]carbamate

C11H17N3O3S — CID 54427838

IUPACtert-butyl N-[2-(1,3-thiazole-2-carbonylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC(=O)c1nccs1
InChIInChI=1S/C11H17N3O3S/c1-11(2,3)17-10(16)14-5-4-12-8(15)9-13-6-7-18-9/h6-7H,4-5H2,1-3H3,(H,12,15)(H,14,16)
InChIKeyWFJMQOGYOZSACT-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.40
Rot. Bonds4

About tert-butyl N-[2-(1,3-thiazole-2-carbonylamino)ethyl]carbamate

tert-butyl N-[2-(1,3-thiazole-2-carbonylamino)ethyl]carbamate (PubChem CID 54427838) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is tert-butyl N-[2-(1,3-thiazole-2-carbonylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(1,3-thiazole-2-carbonylamino)ethyl]carbamate
PubChem CID54427838
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Nametert-butyl N-[2-(1,3-thiazole-2-carbonylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC(=O)c1nccs1
InChIInChI=1S/C11H17N3O3S/c1-11(2,3)17-10(16)14-5-4-12-8(15)9-13-6-7-18-9/h6-7H,4-5H2,1-3H3,(H,12,15)(H,14,16)
InChIKeyWFJMQOGYOZSACT-UHFFFAOYSA-N
XLogP1.40
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.40
H-Bond Donors ≤ 52
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 tert-butyl N-[2-(1,3-thiazole-2-carbonylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(1,3-thiazole-2-carbonylamino)ethyl]carbamate (CID 54427838) is tert-butyl N-[2-(1,3-thiazole-2-carbonylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(1,3-thiazole-2-carbonylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(1,3-thiazole-2-carbonylamino)ethyl]carbamate is CC(C)(C)OC(=O)NCCNC(=O)c1nccs1.
What is the InChIKey of tert-butyl N-[2-(1,3-thiazole-2-carbonylamino)ethyl]carbamate?
The InChIKey is WFJMQOGYOZSACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-11(2,3)17-10(16)14-5-4-12-8(15)9-13-6-7-18-9/h6-7H,4-5H2,1-3H3,(H,12,15)(H,14,16).
What are the key properties of tert-butyl N-[2-(1,3-thiazole-2-carbonylamino)ethyl]carbamate?
tert-butyl N-[2-(1,3-thiazole-2-carbonylamino)ethyl]carbamate has a molecular weight of 271.34 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(1,3-thiazole-2-carbonylamino)ethyl]carbamate is sourced from PubChem (CID 54427838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).