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

C11H18N2O2S — CID 64688740

IUPACtert-butyl N-[1-(1,3-thiazol-2-yl)propyl]carbamate
SMILESCCC(NC(=O)OC(C)(C)C)c1nccs1
InChIInChI=1S/C11H18N2O2S/c1-5-8(9-12-6-7-16-9)13-10(14)15-11(2,3)4/h6-8H,5H2,1-4H3,(H,13,14)
InChIKeyAKKRIUNLOPCFLN-UHFFFAOYSA-N
MW242.34 g/mol
LogP3.12
Rot. Bonds3

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

tert-butyl N-[1-(1,3-thiazol-2-yl)propyl]carbamate (PubChem CID 64688740) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is tert-butyl N-[1-(1,3-thiazol-2-yl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(1,3-thiazol-2-yl)propyl]carbamate
PubChem CID64688740
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Nametert-butyl N-[1-(1,3-thiazol-2-yl)propyl]carbamate
SMILESCCC(NC(=O)OC(C)(C)C)c1nccs1
InChIInChI=1S/C11H18N2O2S/c1-5-8(9-12-6-7-16-9)13-10(14)15-11(2,3)4/h6-8H,5H2,1-4H3,(H,13,14)
InChIKeyAKKRIUNLOPCFLN-UHFFFAOYSA-N
XLogP3.12
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-3-oxo-3-[1-(1,3-thiazol-2-yl)propylamino]propanoic acid
CID 82821210
tert-butyl N-[(1S,2R)-1-hydroxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-yl]carbamate
CID 22843594
2,2-dimethyl-3-[1-(1,3-thiazol-2-yl)propylamino]propanoic acid
CID 79624178
tert-butyl N-[(2R)-1-oxo-1-(1,3-thiazol-2-yl)butan-2-yl]carbamate
CID 165471034
tert-butyl N-tert-butyl-N-[2-[1-(1,3-thiazol-2-yl)propylamino]ethyl]carbamate
CID 107445705
(2R)-3,3-dimethyl-2-[1-(1,3-thiazol-2-yl)propylcarbamoylamino]butanoic acid
CID 103928082
tert-butyl N-[3-hydroxy-3-(1,3-thiazol-2-yl)propyl]carbamate
CID 70144327
2-(aminomethyl)-4,4-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]pentanamide
CID 107472241
tert-butyl N-[1-(1,3-thiazol-2-yl)ethylamino]carbamate
CID 107237311
tert-butyl N-[1-(1,3-thiazol-2-ylmethylamino)butan-2-yl]carbamate
CID 107250464
tert-butyl N-[(2S)-1-hydroxy-3-phenyl-1-(1,3-thiazol-2-yl)propan-2-yl]carbamate
CID 14523258
2-amino-2-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride
CID 120597101

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(1,3-thiazol-2-yl)propyl]carbamate?
The IUPAC name of tert-butyl N-[1-(1,3-thiazol-2-yl)propyl]carbamate (CID 64688740) is tert-butyl N-[1-(1,3-thiazol-2-yl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(1,3-thiazol-2-yl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(1,3-thiazol-2-yl)propyl]carbamate is CCC(NC(=O)OC(C)(C)C)c1nccs1.
What is the InChIKey of tert-butyl N-[1-(1,3-thiazol-2-yl)propyl]carbamate?
The InChIKey is AKKRIUNLOPCFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-5-8(9-12-6-7-16-9)13-10(14)15-11(2,3)4/h6-8H,5H2,1-4H3,(H,13,14).
What are the key properties of tert-butyl N-[1-(1,3-thiazol-2-yl)propyl]carbamate?
tert-butyl N-[1-(1,3-thiazol-2-yl)propyl]carbamate has a molecular weight of 242.34 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(1,3-thiazol-2-yl)propyl]carbamate is sourced from PubChem (CID 64688740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).