tert-butyl N-[2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)ethyl]-N-methylcarbamate

C14H22N2O3S — CID 75389514

IUPACtert-butyl N-[2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)ethyl]-N-methylcarbamate
SMILESCC(=O)c1sc(CCN(C)C(=O)OC(C)(C)C)nc1C
InChIInChI=1S/C14H22N2O3S/c1-9-12(10(2)17)20-11(15-9)7-8-16(6)13(18)19-14(3,4)5/h7-8H2,1-6H3
InChIKeyAXINVCPRNSXBPA-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.06
Rot. Bonds4

About tert-butyl N-[2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)ethyl]-N-methylcarbamate

tert-butyl N-[2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)ethyl]-N-methylcarbamate (PubChem CID 75389514) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is tert-butyl N-[2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)ethyl]-N-methylcarbamate
PubChem CID75389514
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Nametert-butyl N-[2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)ethyl]-N-methylcarbamate
SMILESCC(=O)c1sc(CCN(C)C(=O)OC(C)(C)C)nc1C
InChIInChI=1S/C14H22N2O3S/c1-9-12(10(2)17)20-11(15-9)7-8-16(6)13(18)19-14(3,4)5/h7-8H2,1-6H3
InChIKeyAXINVCPRNSXBPA-UHFFFAOYSA-N
XLogP3.06
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)ethyl]-N-methylcarbamate (CID 75389514) is tert-butyl N-[2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)ethyl]-N-methylcarbamate is CC(=O)c1sc(CCN(C)C(=O)OC(C)(C)C)nc1C.
What is the InChIKey of tert-butyl N-[2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)ethyl]-N-methylcarbamate?
The InChIKey is AXINVCPRNSXBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-9-12(10(2)17)20-11(15-9)7-8-16(6)13(18)19-14(3,4)5/h7-8H2,1-6H3.
What are the key properties of tert-butyl N-[2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)ethyl]-N-methylcarbamate?
tert-butyl N-[2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)ethyl]-N-methylcarbamate has a molecular weight of 298.41 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)ethyl]-N-methylcarbamate is sourced from PubChem (CID 75389514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).