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

C9H15N3O2S — CID 53397224

IUPACtert-butyl N-[4-(aminomethyl)-1,3-thiazol-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1nc(CN)cs1
InChIInChI=1S/C9H15N3O2S/c1-9(2,3)14-8(13)12-7-11-6(4-10)5-15-7/h5H,4,10H2,1-3H3,(H,11,12,13)
InChIKeySEKNAIFIARYMTJ-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.95
Rot. Bonds2

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

tert-butyl N-[4-(aminomethyl)-1,3-thiazol-2-yl]carbamate (PubChem CID 53397224) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is tert-butyl N-[4-(aminomethyl)-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(aminomethyl)-1,3-thiazol-2-yl]carbamate
PubChem CID53397224
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Nametert-butyl N-[4-(aminomethyl)-1,3-thiazol-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1nc(CN)cs1
InChIInChI=1S/C9H15N3O2S/c1-9(2,3)14-8(13)12-7-11-6(4-10)5-15-7/h5H,4,10H2,1-3H3,(H,11,12,13)
InChIKeySEKNAIFIARYMTJ-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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Related Compounds

CID 134008
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CID 14962247
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CID 45117839
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CID 56649221
CID 56649221
CID 79123145
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CID 155821223
CID 155821223
CID 177799442
CID 177799442
CID 45117843
CID 45117843
CID 59570990
CID 59570990
CID 87536529
CID 87536529
CID 156815064
CID 156815064

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(aminomethyl)-1,3-thiazol-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-(aminomethyl)-1,3-thiazol-2-yl]carbamate (CID 53397224) is tert-butyl N-[4-(aminomethyl)-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(aminomethyl)-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-(aminomethyl)-1,3-thiazol-2-yl]carbamate is CC(C)(C)OC(=O)Nc1nc(CN)cs1.
What is the InChIKey of tert-butyl N-[4-(aminomethyl)-1,3-thiazol-2-yl]carbamate?
The InChIKey is SEKNAIFIARYMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-9(2,3)14-8(13)12-7-11-6(4-10)5-15-7/h5H,4,10H2,1-3H3,(H,11,12,13).
What are the key properties of tert-butyl N-[4-(aminomethyl)-1,3-thiazol-2-yl]carbamate?
tert-butyl N-[4-(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-[4-(aminomethyl)-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 53397224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).