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

C9H15N3O2S — CID 11601064

IUPACtert-butyl N-[5-(aminomethyl)-1,3-thiazol-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ncc(CN)s1
InChIInChI=1S/C9H15N3O2S/c1-9(2,3)14-8(13)12-7-11-5-6(4-10)15-7/h5H,4,10H2,1-3H3,(H,11,12,13)
InChIKeyBJBOIRJERIUSFM-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.95
Rot. Bonds2

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

tert-butyl N-[5-(aminomethyl)-1,3-thiazol-2-yl]carbamate (PubChem CID 11601064) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is tert-butyl N-[5-(aminomethyl)-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(aminomethyl)-1,3-thiazol-2-yl]carbamate
PubChem CID11601064
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Nametert-butyl N-[5-(aminomethyl)-1,3-thiazol-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ncc(CN)s1
InChIInChI=1S/C9H15N3O2S/c1-9(2,3)14-8(13)12-7-11-5-6(4-10)15-7/h5H,4,10H2,1-3H3,(H,11,12,13)
InChIKeyBJBOIRJERIUSFM-UHFFFAOYSA-N
XLogP1.95
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(aminomethyl)-1,3-thiazol-2-yl]carbamate?
The IUPAC name of tert-butyl N-[5-(aminomethyl)-1,3-thiazol-2-yl]carbamate (CID 11601064) is tert-butyl N-[5-(aminomethyl)-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(aminomethyl)-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-(aminomethyl)-1,3-thiazol-2-yl]carbamate is CC(C)(C)OC(=O)Nc1ncc(CN)s1.
What is the InChIKey of tert-butyl N-[5-(aminomethyl)-1,3-thiazol-2-yl]carbamate?
The InChIKey is BJBOIRJERIUSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-9(2,3)14-8(13)12-7-11-5-6(4-10)15-7/h5H,4,10H2,1-3H3,(H,11,12,13).
What are the key properties of tert-butyl N-[5-(aminomethyl)-1,3-thiazol-2-yl]carbamate?
tert-butyl N-[5-(aminomethyl)-1,3-thiazol-2-yl]carbamate has a molecular weight of 229.30 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(aminomethyl)-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 11601064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).