1,3-thiazol-5-ylmethyl carbamate

C5H6N2O2S — CID 18759075

IUPAC1,3-thiazol-5-ylmethyl carbamate
SMILESNC(=O)OCc1cncs1
InChIInChI=1S/C5H6N2O2S/c6-5(8)9-2-4-1-7-3-10-4/h1,3H,2H2,(H2,6,8)
InChIKeyRZDAKTJQQDTCFJ-UHFFFAOYSA-N
MW158.18 g/mol
LogP0.74
Rot. Bonds2

About 1,3-thiazol-5-ylmethyl carbamate

1,3-thiazol-5-ylmethyl carbamate (PubChem CID 18759075) has the molecular formula C5H6N2O2S and a molecular weight of 158.18 g/mol. Its IUPAC name is 1,3-thiazol-5-ylmethyl carbamate.

Molecular Properties

Compound Name1,3-thiazol-5-ylmethyl carbamate
PubChem CID18759075
Molecular FormulaC5H6N2O2S
Molecular Weight158.18 g/mol
Exact Mass158.01
IUPAC Name1,3-thiazol-5-ylmethyl carbamate
SMILESNC(=O)OCc1cncs1
InChIInChI=1S/C5H6N2O2S/c6-5(8)9-2-4-1-7-3-10-4/h1,3H,2H2,(H2,6,8)
InChIKeyRZDAKTJQQDTCFJ-UHFFFAOYSA-N
XLogP0.74
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 50.74
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 carbamate?
The IUPAC name of 1,3-thiazol-5-ylmethyl carbamate (CID 18759075) is 1,3-thiazol-5-ylmethyl carbamate.
What is the SMILES notation for 1,3-thiazol-5-ylmethyl carbamate?
The canonical SMILES for 1,3-thiazol-5-ylmethyl carbamate is NC(=O)OCc1cncs1.
What is the InChIKey of 1,3-thiazol-5-ylmethyl carbamate?
The InChIKey is RZDAKTJQQDTCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2S/c6-5(8)9-2-4-1-7-3-10-4/h1,3H,2H2,(H2,6,8).
What are the key properties of 1,3-thiazol-5-ylmethyl carbamate?
1,3-thiazol-5-ylmethyl carbamate has a molecular weight of 158.18 g/mol, XLogP of 0.74, 2 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 carbamate is sourced from PubChem (CID 18759075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).