tert-butyl N-[[4-(aminomethyl)-1,3-thiazol-2-yl]methyl]carbamate

C10H17N3O2S — CID 83300651

IUPACtert-butyl N-[[4-(aminomethyl)-1,3-thiazol-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1nc(CN)cs1
InChIInChI=1S/C10H17N3O2S/c1-10(2,3)15-9(14)12-5-8-13-7(4-11)6-16-8/h6H,4-5,11H2,1-3H3,(H,12,14)
InChIKeyZOPHPATVZRBIET-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.63
Rot. Bonds3

About tert-butyl N-[[4-(aminomethyl)-1,3-thiazol-2-yl]methyl]carbamate

tert-butyl N-[[4-(aminomethyl)-1,3-thiazol-2-yl]methyl]carbamate (PubChem CID 83300651) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is tert-butyl N-[[4-(aminomethyl)-1,3-thiazol-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-(aminomethyl)-1,3-thiazol-2-yl]methyl]carbamate
PubChem CID83300651
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Nametert-butyl N-[[4-(aminomethyl)-1,3-thiazol-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1nc(CN)cs1
InChIInChI=1S/C10H17N3O2S/c1-10(2,3)15-9(14)12-5-8-13-7(4-11)6-16-8/h6H,4-5,11H2,1-3H3,(H,12,14)
InChIKeyZOPHPATVZRBIET-UHFFFAOYSA-N
XLogP1.63
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[[4-(dihydroxymethyl)-1,3-thiazol-2-yl]methyl]carbamate
CID 146639722
(2S,3S)-3-methyl-2-[[methyl-[[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazol-4-yl]methyl]carbamoyl]amino]pentanoic acid
CID 66891402
methyl N-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamate
CID 110739075
methyl 4-methyl-2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazol-4-yl]-5H-1,3-thiazole-4-carboxylate
CID 70260133
tert-butyl N-[(6-chloropyrazin-2-yl)methyl]carbamate
CID 77231610
tert-butyl N-[[5-(aminomethyl)thiophen-2-yl]methyl]carbamate
CID 59708483
tert-butyl N-[[5-(aminomethyl)-1,2-oxazol-3-yl]methyl]carbamate
CID 139228466
ethyl N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]carbamate
CID 110359539
tert-butyl N-[[4-[(2-methoxyphenyl)methylcarbamoyl]-1,3-thiazol-2-yl]methyl]carbamate
CID 67304205
tert-butyl N-[(6-methyl-2-pyridinyl)methyl]carbamate
CID 63788697
tert-butyl N-[(2,6-dichloropyrimidin-4-yl)methyl]carbamate
CID 170897744
tert-butyl N-[(6-carbamoyl-2-pyridinyl)methyl]carbamate
CID 68863111

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-(aminomethyl)-1,3-thiazol-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-(aminomethyl)-1,3-thiazol-2-yl]methyl]carbamate (CID 83300651) is tert-butyl N-[[4-(aminomethyl)-1,3-thiazol-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-(aminomethyl)-1,3-thiazol-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-(aminomethyl)-1,3-thiazol-2-yl]methyl]carbamate is CC(C)(C)OC(=O)NCc1nc(CN)cs1.
What is the InChIKey of tert-butyl N-[[4-(aminomethyl)-1,3-thiazol-2-yl]methyl]carbamate?
The InChIKey is ZOPHPATVZRBIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-10(2,3)15-9(14)12-5-8-13-7(4-11)6-16-8/h6H,4-5,11H2,1-3H3,(H,12,14).
What are the key properties of tert-butyl N-[[4-(aminomethyl)-1,3-thiazol-2-yl]methyl]carbamate?
tert-butyl N-[[4-(aminomethyl)-1,3-thiazol-2-yl]methyl]carbamate has a molecular weight of 243.33 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-(aminomethyl)-1,3-thiazol-2-yl]methyl]carbamate is sourced from PubChem (CID 83300651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).