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

C13H22N2O2S — CID 133059461

IUPACtert-butyl N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cnc(C(C)(C)C)s1
InChIInChI=1S/C13H22N2O2S/c1-12(2,3)10-14-7-9(18-10)8-15-11(16)17-13(4,5)6/h7H,8H2,1-6H3,(H,15,16)
InChIKeyDTDNTZIDICSWHN-UHFFFAOYSA-N
MW270.40 g/mol
LogP3.47
Rot. Bonds2

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

tert-butyl N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]carbamate (PubChem CID 133059461) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is tert-butyl N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]carbamate
PubChem CID133059461
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Nametert-butyl N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cnc(C(C)(C)C)s1
InChIInChI=1S/C13H22N2O2S/c1-12(2,3)10-14-7-9(18-10)8-15-11(16)17-13(4,5)6/h7H,8H2,1-6H3,(H,15,16)
InChIKeyDTDNTZIDICSWHN-UHFFFAOYSA-N
XLogP3.47
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[[2-(5-ethyl-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]methyl]carbamate
CID 158874937
tert-butyl N-[[2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl]carbamate
CID 126719795
tert-butyl N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]carbamate
CID 126719888
tert-butyl N-[3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propyl]carbamate
CID 78943314
tert-butyl N-(pyrazin-2-ylmethyl)carbamate
CID 66970536
tert-butyl N-[[5-(aminomethyl)thiophen-2-yl]methyl]carbamate
CID 59708483
2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-oxazole-5-carboxylic acid
CID 170910216
methyl (2S)-2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-methylbutanoate
CID 55179474
tert-butyl N-[[2-[4-(4-aminobutoxy)phenyl]-1,3-thiazol-5-yl]methyl]carbamate
CID 126719862
2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 114009042
tert-butyl N-[[2-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-5-yl]methyl]carbamate
CID 126719799
tert-butyl N-[[5-(azidomethyl)-1,3-thiazol-2-yl]methyl]carbamate
CID 167276246

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]carbamate (CID 133059461) is tert-butyl N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]carbamate is CC(C)(C)OC(=O)NCc1cnc(C(C)(C)C)s1.
What is the InChIKey of tert-butyl N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]carbamate?
The InChIKey is DTDNTZIDICSWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-12(2,3)10-14-7-9(18-10)8-15-11(16)17-13(4,5)6/h7H,8H2,1-6H3,(H,15,16).
What are the key properties of tert-butyl N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]carbamate?
tert-butyl N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]carbamate has a molecular weight of 270.40 g/mol, XLogP of 3.47, 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-tert-butyl-1,3-thiazol-5-yl)methyl]carbamate is sourced from PubChem (CID 133059461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).