tert-butyl N-[(1R)-1-(5-acetyl-1,3-thiazol-2-yl)-2-methylpropyl]carbamate

C14H22N2O3S — CID 70848420

IUPACtert-butyl N-[(1R)-1-(5-acetyl-1,3-thiazol-2-yl)-2-methylpropyl]carbamate
SMILESCC(=O)c1cnc([C@H](NC(=O)OC(C)(C)C)C(C)C)s1
InChIInChI=1S/C14H22N2O3S/c1-8(2)11(16-13(18)19-14(4,5)6)12-15-7-10(20-12)9(3)17/h7-8,11H,1-6H3,(H,16,18)/t11-/m1/s1
InChIKeyWNLRGSOMWVKDCH-LLVKDONJSA-N
MW298.41 g/mol
LogP3.57
Rot. Bonds4

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

tert-butyl N-[(1R)-1-(5-acetyl-1,3-thiazol-2-yl)-2-methylpropyl]carbamate (PubChem CID 70848420) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-(5-acetyl-1,3-thiazol-2-yl)-2-methylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-(5-acetyl-1,3-thiazol-2-yl)-2-methylpropyl]carbamate
PubChem CID70848420
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Nametert-butyl N-[(1R)-1-(5-acetyl-1,3-thiazol-2-yl)-2-methylpropyl]carbamate
SMILESCC(=O)c1cnc([C@H](NC(=O)OC(C)(C)C)C(C)C)s1
InChIInChI=1S/C14H22N2O3S/c1-8(2)11(16-13(18)19-14(4,5)6)12-15-7-10(20-12)9(3)17/h7-8,11H,1-6H3,(H,16,18)/t11-/m1/s1
InChIKeyWNLRGSOMWVKDCH-LLVKDONJSA-N
XLogP3.57
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-(5-acetyl-1,3-thiazol-2-yl)-2-methylpropyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-1-(5-acetyl-1,3-thiazol-2-yl)-2-methylpropyl]carbamate (CID 70848420) is tert-butyl N-[(1R)-1-(5-acetyl-1,3-thiazol-2-yl)-2-methylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-(5-acetyl-1,3-thiazol-2-yl)-2-methylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-(5-acetyl-1,3-thiazol-2-yl)-2-methylpropyl]carbamate is CC(=O)c1cnc([C@H](NC(=O)OC(C)(C)C)C(C)C)s1.
What is the InChIKey of tert-butyl N-[(1R)-1-(5-acetyl-1,3-thiazol-2-yl)-2-methylpropyl]carbamate?
The InChIKey is WNLRGSOMWVKDCH-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-8(2)11(16-13(18)19-14(4,5)6)12-15-7-10(20-12)9(3)17/h7-8,11H,1-6H3,(H,16,18)/t11-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-1-(5-acetyl-1,3-thiazol-2-yl)-2-methylpropyl]carbamate?
tert-butyl N-[(1R)-1-(5-acetyl-1,3-thiazol-2-yl)-2-methylpropyl]carbamate has a molecular weight of 298.41 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-1-(5-acetyl-1,3-thiazol-2-yl)-2-methylpropyl]carbamate is sourced from PubChem (CID 70848420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).