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

C11H18N2O2S — CID 91647755

IUPACtert-butyl N-(2-propan-2-yl-1,3-thiazol-5-yl)carbamate
SMILESCC(C)c1ncc(NC(=O)OC(C)(C)C)s1
InChIInChI=1S/C11H18N2O2S/c1-7(2)9-12-6-8(16-9)13-10(14)15-11(3,4)5/h6-7H,1-5H3,(H,13,14)
InChIKeyKRUSXLGXUGKGMC-UHFFFAOYSA-N
MW242.34 g/mol
LogP3.61
Rot. Bonds2

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

tert-butyl N-(2-propan-2-yl-1,3-thiazol-5-yl)carbamate (PubChem CID 91647755) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is tert-butyl N-(2-propan-2-yl-1,3-thiazol-5-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-propan-2-yl-1,3-thiazol-5-yl)carbamate
PubChem CID91647755
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Nametert-butyl N-(2-propan-2-yl-1,3-thiazol-5-yl)carbamate
SMILESCC(C)c1ncc(NC(=O)OC(C)(C)C)s1
InChIInChI=1S/C11H18N2O2S/c1-7(2)9-12-6-8(16-9)13-10(14)15-11(3,4)5/h6-7H,1-5H3,(H,13,14)
InChIKeyKRUSXLGXUGKGMC-UHFFFAOYSA-N
XLogP3.61
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-(1,3-thiazol-5-yl)carbamate
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tert-butyl N-(2-methyl-1,3-thiazol-5-yl)carbamate
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(s)-(-)-N-(t-butoxycarbonyl)-1-(2-thiazolyl)-2-methylpropylamine
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tert-butyl N-(2-chloro-1,3-thiazol-5-yl)carbamate
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tert-butyl N-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]carbamate
CID 154729526
tert-butyl N-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]carbamate
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tert-butyl N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]carbamate
CID 91301086
tert-Butyl (2-(trifluoromethyl)thiazol-5-yl)carbamate
CID 92045600
tert-butyl N-[2,2-difluoro-3-[1-(1,3-thiazol-2-yl)ethylamino]propyl]carbamate
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Tert-butyl N-[3-(1,3-thiazol-2-yl)propyl]carbamate
CID 11665913

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-propan-2-yl-1,3-thiazol-5-yl)carbamate?
The IUPAC name of tert-butyl N-(2-propan-2-yl-1,3-thiazol-5-yl)carbamate (CID 91647755) is tert-butyl N-(2-propan-2-yl-1,3-thiazol-5-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-propan-2-yl-1,3-thiazol-5-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-propan-2-yl-1,3-thiazol-5-yl)carbamate is CC(C)c1ncc(NC(=O)OC(C)(C)C)s1.
What is the InChIKey of tert-butyl N-(2-propan-2-yl-1,3-thiazol-5-yl)carbamate?
The InChIKey is KRUSXLGXUGKGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-7(2)9-12-6-8(16-9)13-10(14)15-11(3,4)5/h6-7H,1-5H3,(H,13,14).
What are the key properties of tert-butyl N-(2-propan-2-yl-1,3-thiazol-5-yl)carbamate?
tert-butyl N-(2-propan-2-yl-1,3-thiazol-5-yl)carbamate has a molecular weight of 242.34 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-propan-2-yl-1,3-thiazol-5-yl)carbamate is sourced from PubChem (CID 91647755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).