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

C13H22N2O2S — CID 91301086

IUPACtert-butyl N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]carbamate
SMILESCC(C)CC(NC(=O)OC(C)(C)C)c1nccs1
InChIInChI=1S/C13H22N2O2S/c1-9(2)8-10(11-14-6-7-18-11)15-12(16)17-13(3,4)5/h6-7,9-10H,8H2,1-5H3,(H,15,16)
InChIKeyLNHHGHHCOCCQSV-UHFFFAOYSA-N
MW270.40 g/mol
LogP3.76
Rot. Bonds4

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

tert-butyl N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]carbamate (PubChem CID 91301086) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is tert-butyl N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]carbamate
PubChem CID91301086
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Nametert-butyl N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]carbamate
SMILESCC(C)CC(NC(=O)OC(C)(C)C)c1nccs1
InChIInChI=1S/C13H22N2O2S/c1-9(2)8-10(11-14-6-7-18-11)15-12(16)17-13(3,4)5/h6-7,9-10H,8H2,1-5H3,(H,15,16)
InChIKeyLNHHGHHCOCCQSV-UHFFFAOYSA-N
XLogP3.76
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(s)-(-)-N-(t-butoxycarbonyl)-1-(2-thiazolyl)-2-methylpropylamine
CID 10956191
tert-butyl N-(2-(propan-2-yl)-1,3-thiazol-5-yl)carbamate
CID 91647755
tert-Butyl (2-cyclopropylthiazol-5-yl)carbamate
CID 92133067
ethyl 4-[[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]amino]piperidine-1-carboxylate
CID 97611339
1-[(1-methoxycyclobutyl)methyl]-3-[(1S)-1-(1,3-thiazol-2-yl)propyl]urea
CID 97859133
tert-butyl N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)ethyl]carbamate
CID 118297268
(2R)-2-(methylamino)-N-[(1S)-3-methyl-1-(1,3-thiazol-2-yl)butyl]propanamide
CID 166445261
2,2,2-trifluoroethyl N-[1-(1,3-thiazol-2-yl)ethyl]carbamate
CID 63597934
2,2,2-trifluoroethyl N-[1-(1,3-thiazol-2-yl)propyl]carbamate
CID 64687364
tert-butyl N-[2,2-difluoro-3-(1,3-thiazol-2-ylmethylamino)propyl]carbamate
CID 104954069
tert-butyl N-[2,2-difluoro-3-[1-(1,3-thiazol-2-yl)ethylamino]propyl]carbamate
CID 104955572
tert-butyl N-[(1R,2S)-1-hydroxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-yl]carbamate
CID 10614181

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]carbamate?
The IUPAC name of tert-butyl N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]carbamate (CID 91301086) is tert-butyl N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]carbamate?
The canonical SMILES for tert-butyl N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]carbamate is CC(C)CC(NC(=O)OC(C)(C)C)c1nccs1.
What is the InChIKey of tert-butyl N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]carbamate?
The InChIKey is LNHHGHHCOCCQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-9(2)8-10(11-14-6-7-18-11)15-12(16)17-13(3,4)5/h6-7,9-10H,8H2,1-5H3,(H,15,16).
What are the key properties of tert-butyl N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]carbamate?
tert-butyl N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]carbamate has a molecular weight of 270.40 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]carbamate is sourced from PubChem (CID 91301086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).