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

C12H18N2O3S — CID 138552649

IUPACtert-butyl N-[(4-acetyl-1,3-thiazol-2-yl)methyl]-N-methylcarbamate
SMILESCC(=O)c1csc(CN(C)C(=O)OC(C)(C)C)n1
InChIInChI=1S/C12H18N2O3S/c1-8(15)9-7-18-10(13-9)6-14(5)11(16)17-12(2,3)4/h7H,6H2,1-5H3
InChIKeyGWUFSHGKZACLKG-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.71
Rot. Bonds3

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

tert-butyl N-[(4-acetyl-1,3-thiazol-2-yl)methyl]-N-methylcarbamate (PubChem CID 138552649) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is tert-butyl N-[(4-acetyl-1,3-thiazol-2-yl)methyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-acetyl-1,3-thiazol-2-yl)methyl]-N-methylcarbamate
PubChem CID138552649
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Nametert-butyl N-[(4-acetyl-1,3-thiazol-2-yl)methyl]-N-methylcarbamate
SMILESCC(=O)c1csc(CN(C)C(=O)OC(C)(C)C)n1
InChIInChI=1S/C12H18N2O3S/c1-8(15)9-7-18-10(13-9)6-14(5)11(16)17-12(2,3)4/h7H,6H2,1-5H3
InChIKeyGWUFSHGKZACLKG-UHFFFAOYSA-N
XLogP2.71
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-acetyl-1,3-thiazol-2-yl)methyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(4-acetyl-1,3-thiazol-2-yl)methyl]-N-methylcarbamate (CID 138552649) is tert-butyl N-[(4-acetyl-1,3-thiazol-2-yl)methyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(4-acetyl-1,3-thiazol-2-yl)methyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(4-acetyl-1,3-thiazol-2-yl)methyl]-N-methylcarbamate is CC(=O)c1csc(CN(C)C(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-[(4-acetyl-1,3-thiazol-2-yl)methyl]-N-methylcarbamate?
The InChIKey is GWUFSHGKZACLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-8(15)9-7-18-10(13-9)6-14(5)11(16)17-12(2,3)4/h7H,6H2,1-5H3.
What are the key properties of tert-butyl N-[(4-acetyl-1,3-thiazol-2-yl)methyl]-N-methylcarbamate?
tert-butyl N-[(4-acetyl-1,3-thiazol-2-yl)methyl]-N-methylcarbamate has a molecular weight of 270.35 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4-acetyl-1,3-thiazol-2-yl)methyl]-N-methylcarbamate is sourced from PubChem (CID 138552649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).