2-methylpropyl N-(4-tert-butyl-1,3-thiazol-2-yl)carbamate

C12H20N2O2S — CID 13470691

IUPAC2-methylpropyl N-(4-tert-butyl-1,3-thiazol-2-yl)carbamate
SMILESCC(C)COC(=O)Nc1nc(C(C)(C)C)cs1
InChIInChI=1S/C12H20N2O2S/c1-8(2)6-16-11(15)14-10-13-9(7-17-10)12(3,4)5/h7-8H,6H2,1-5H3,(H,13,14,15)
InChIKeyBKHHASBBQLYHOP-UHFFFAOYSA-N
MW256.37 g/mol
LogP3.65
Rot. Bonds3

About 2-methylpropyl N-(4-tert-butyl-1,3-thiazol-2-yl)carbamate

2-methylpropyl N-(4-tert-butyl-1,3-thiazol-2-yl)carbamate (PubChem CID 13470691) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-methylpropyl N-(4-tert-butyl-1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Name2-methylpropyl N-(4-tert-butyl-1,3-thiazol-2-yl)carbamate
PubChem CID13470691
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name2-methylpropyl N-(4-tert-butyl-1,3-thiazol-2-yl)carbamate
SMILESCC(C)COC(=O)Nc1nc(C(C)(C)C)cs1
InChIInChI=1S/C12H20N2O2S/c1-8(2)6-16-11(15)14-10-13-9(7-17-10)12(3,4)5/h7-8H,6H2,1-5H3,(H,13,14,15)
InChIKeyBKHHASBBQLYHOP-UHFFFAOYSA-N
XLogP3.65
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(4-tert-butyl-1,3-thiazol-2-yl)carbamate?
The IUPAC name of 2-methylpropyl N-(4-tert-butyl-1,3-thiazol-2-yl)carbamate (CID 13470691) is 2-methylpropyl N-(4-tert-butyl-1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for 2-methylpropyl N-(4-tert-butyl-1,3-thiazol-2-yl)carbamate?
The canonical SMILES for 2-methylpropyl N-(4-tert-butyl-1,3-thiazol-2-yl)carbamate is CC(C)COC(=O)Nc1nc(C(C)(C)C)cs1.
What is the InChIKey of 2-methylpropyl N-(4-tert-butyl-1,3-thiazol-2-yl)carbamate?
The InChIKey is BKHHASBBQLYHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-8(2)6-16-11(15)14-10-13-9(7-17-10)12(3,4)5/h7-8H,6H2,1-5H3,(H,13,14,15).
What are the key properties of 2-methylpropyl N-(4-tert-butyl-1,3-thiazol-2-yl)carbamate?
2-methylpropyl N-(4-tert-butyl-1,3-thiazol-2-yl)carbamate has a molecular weight of 256.37 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(4-tert-butyl-1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 13470691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).