1,3-thiazol-5-ylmethyl N-heptan-4-ylcarbamate

C12H20N2O2S — CID 59784063

IUPAC1,3-thiazol-5-ylmethyl N-heptan-4-ylcarbamate
SMILESCCCC(CCC)NC(=O)OCc1cncs1
InChIInChI=1S/C12H20N2O2S/c1-3-5-10(6-4-2)14-12(15)16-8-11-7-13-9-17-11/h7,9-10H,3-6,8H2,1-2H3,(H,14,15)
InChIKeyLOYBDGZVYZVDJQ-UHFFFAOYSA-N
MW256.37 g/mol
LogP3.34
Rot. Bonds7

About 1,3-thiazol-5-ylmethyl N-heptan-4-ylcarbamate

1,3-thiazol-5-ylmethyl N-heptan-4-ylcarbamate (PubChem CID 59784063) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 1,3-thiazol-5-ylmethyl N-heptan-4-ylcarbamate.

Molecular Properties

Compound Name1,3-thiazol-5-ylmethyl N-heptan-4-ylcarbamate
PubChem CID59784063
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name1,3-thiazol-5-ylmethyl N-heptan-4-ylcarbamate
SMILESCCCC(CCC)NC(=O)OCc1cncs1
InChIInChI=1S/C12H20N2O2S/c1-3-5-10(6-4-2)14-12(15)16-8-11-7-13-9-17-11/h7,9-10H,3-6,8H2,1-2H3,(H,14,15)
InChIKeyLOYBDGZVYZVDJQ-UHFFFAOYSA-N
XLogP3.34
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-5-ylmethyl N-heptan-4-ylcarbamate?
The IUPAC name of 1,3-thiazol-5-ylmethyl N-heptan-4-ylcarbamate (CID 59784063) is 1,3-thiazol-5-ylmethyl N-heptan-4-ylcarbamate.
What is the SMILES notation for 1,3-thiazol-5-ylmethyl N-heptan-4-ylcarbamate?
The canonical SMILES for 1,3-thiazol-5-ylmethyl N-heptan-4-ylcarbamate is CCCC(CCC)NC(=O)OCc1cncs1.
What is the InChIKey of 1,3-thiazol-5-ylmethyl N-heptan-4-ylcarbamate?
The InChIKey is LOYBDGZVYZVDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-3-5-10(6-4-2)14-12(15)16-8-11-7-13-9-17-11/h7,9-10H,3-6,8H2,1-2H3,(H,14,15).
What are the key properties of 1,3-thiazol-5-ylmethyl N-heptan-4-ylcarbamate?
1,3-thiazol-5-ylmethyl N-heptan-4-ylcarbamate has a molecular weight of 256.37 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-5-ylmethyl N-heptan-4-ylcarbamate is sourced from PubChem (CID 59784063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).