1,3-thiazol-5-ylmethyl N-propylcarbamate

C8H12N2O2S — CID 58416919

IUPAC1,3-thiazol-5-ylmethyl N-propylcarbamate
SMILESCCCNC(=O)OCc1cncs1
InChIInChI=1S/C8H12N2O2S/c1-2-3-10-8(11)12-5-7-4-9-6-13-7/h4,6H,2-3,5H2,1H3,(H,10,11)
InChIKeyYMMAUNQEKMGBCC-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.78
Rot. Bonds4

About 1,3-thiazol-5-ylmethyl N-propylcarbamate

1,3-thiazol-5-ylmethyl N-propylcarbamate (PubChem CID 58416919) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 1,3-thiazol-5-ylmethyl N-propylcarbamate.

Molecular Properties

Compound Name1,3-thiazol-5-ylmethyl N-propylcarbamate
PubChem CID58416919
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name1,3-thiazol-5-ylmethyl N-propylcarbamate
SMILESCCCNC(=O)OCc1cncs1
InChIInChI=1S/C8H12N2O2S/c1-2-3-10-8(11)12-5-7-4-9-6-13-7/h4,6H,2-3,5H2,1H3,(H,10,11)
InChIKeyYMMAUNQEKMGBCC-UHFFFAOYSA-N
XLogP1.78
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.78
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-propylcarbamate?
The IUPAC name of 1,3-thiazol-5-ylmethyl N-propylcarbamate (CID 58416919) is 1,3-thiazol-5-ylmethyl N-propylcarbamate.
What is the SMILES notation for 1,3-thiazol-5-ylmethyl N-propylcarbamate?
The canonical SMILES for 1,3-thiazol-5-ylmethyl N-propylcarbamate is CCCNC(=O)OCc1cncs1.
What is the InChIKey of 1,3-thiazol-5-ylmethyl N-propylcarbamate?
The InChIKey is YMMAUNQEKMGBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-2-3-10-8(11)12-5-7-4-9-6-13-7/h4,6H,2-3,5H2,1H3,(H,10,11).
What are the key properties of 1,3-thiazol-5-ylmethyl N-propylcarbamate?
1,3-thiazol-5-ylmethyl N-propylcarbamate has a molecular weight of 200.26 g/mol, XLogP of 1.78, 4 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-propylcarbamate is sourced from PubChem (CID 58416919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).