tert-butyl N-(5-acetyl-1,3-thiazol-2-yl)carbamate

C10H14N2O3S — CID 45117871

IUPACtert-butyl N-(5-acetyl-1,3-thiazol-2-yl)carbamate
SMILESCC(=O)c1cnc(NC(=O)OC(C)(C)C)s1
InChIInChI=1S/C10H14N2O3S/c1-6(13)7-5-11-8(16-7)12-9(14)15-10(2,3)4/h5H,1-4H3,(H,11,12,14)
InChIKeyCHQNTBULMDSWRL-UHFFFAOYSA-N
MW242.30 g/mol
LogP2.69
Rot. Bonds2

About tert-butyl N-(5-acetyl-1,3-thiazol-2-yl)carbamate

tert-butyl N-(5-acetyl-1,3-thiazol-2-yl)carbamate (PubChem CID 45117871) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is tert-butyl N-(5-acetyl-1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-acetyl-1,3-thiazol-2-yl)carbamate
PubChem CID45117871
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Nametert-butyl N-(5-acetyl-1,3-thiazol-2-yl)carbamate
SMILESCC(=O)c1cnc(NC(=O)OC(C)(C)C)s1
InChIInChI=1S/C10H14N2O3S/c1-6(13)7-5-11-8(16-7)12-9(14)15-10(2,3)4/h5H,1-4H3,(H,11,12,14)
InChIKeyCHQNTBULMDSWRL-UHFFFAOYSA-N
XLogP2.69
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-acetyl-1,3-thiazol-2-yl)carbamate?
The IUPAC name of tert-butyl N-(5-acetyl-1,3-thiazol-2-yl)carbamate (CID 45117871) is tert-butyl N-(5-acetyl-1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5-acetyl-1,3-thiazol-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(5-acetyl-1,3-thiazol-2-yl)carbamate is CC(=O)c1cnc(NC(=O)OC(C)(C)C)s1.
What is the InChIKey of tert-butyl N-(5-acetyl-1,3-thiazol-2-yl)carbamate?
The InChIKey is CHQNTBULMDSWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-6(13)7-5-11-8(16-7)12-9(14)15-10(2,3)4/h5H,1-4H3,(H,11,12,14).
What are the key properties of tert-butyl N-(5-acetyl-1,3-thiazol-2-yl)carbamate?
tert-butyl N-(5-acetyl-1,3-thiazol-2-yl)carbamate has a molecular weight of 242.30 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-acetyl-1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 45117871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).