1,3-thiazol-5-ylmethyl N-(2-aminoethyl)carbamate

C7H11N3O2S — CID 59721350

IUPAC1,3-thiazol-5-ylmethyl N-(2-aminoethyl)carbamate
SMILESNCCNC(=O)OCc1cncs1
InChIInChI=1S/C7H11N3O2S/c8-1-2-10-7(11)12-4-6-3-9-5-13-6/h3,5H,1-2,4,8H2,(H,10,11)
InChIKeyGYEZTSJVHWFMQG-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.33
Rot. Bonds4

About 1,3-thiazol-5-ylmethyl N-(2-aminoethyl)carbamate

1,3-thiazol-5-ylmethyl N-(2-aminoethyl)carbamate (PubChem CID 59721350) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is 1,3-thiazol-5-ylmethyl N-(2-aminoethyl)carbamate.

Molecular Properties

Compound Name1,3-thiazol-5-ylmethyl N-(2-aminoethyl)carbamate
PubChem CID59721350
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Name1,3-thiazol-5-ylmethyl N-(2-aminoethyl)carbamate
SMILESNCCNC(=O)OCc1cncs1
InChIInChI=1S/C7H11N3O2S/c8-1-2-10-7(11)12-4-6-3-9-5-13-6/h3,5H,1-2,4,8H2,(H,10,11)
InChIKeyGYEZTSJVHWFMQG-UHFFFAOYSA-N
XLogP0.33
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-5-ylmethyl N-(2-aminoethyl)carbamate?
The IUPAC name of 1,3-thiazol-5-ylmethyl N-(2-aminoethyl)carbamate (CID 59721350) is 1,3-thiazol-5-ylmethyl N-(2-aminoethyl)carbamate.
What is the SMILES notation for 1,3-thiazol-5-ylmethyl N-(2-aminoethyl)carbamate?
The canonical SMILES for 1,3-thiazol-5-ylmethyl N-(2-aminoethyl)carbamate is NCCNC(=O)OCc1cncs1.
What is the InChIKey of 1,3-thiazol-5-ylmethyl N-(2-aminoethyl)carbamate?
The InChIKey is GYEZTSJVHWFMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c8-1-2-10-7(11)12-4-6-3-9-5-13-6/h3,5H,1-2,4,8H2,(H,10,11).
What are the key properties of 1,3-thiazol-5-ylmethyl N-(2-aminoethyl)carbamate?
1,3-thiazol-5-ylmethyl N-(2-aminoethyl)carbamate has a molecular weight of 201.25 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-5-ylmethyl N-(2-aminoethyl)carbamate is sourced from PubChem (CID 59721350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).