(3-ethyl-1,2-thiazol-4-yl) carbamate

C6H8N2O2S — CID 175535886

IUPAC(3-ethyl-1,2-thiazol-4-yl) carbamate
SMILESCCc1nscc1OC(N)=O
InChIInChI=1S/C6H8N2O2S/c1-2-4-5(3-11-8-4)10-6(7)9/h3H,2H2,1H3,(H2,7,9)
InChIKeyZPCJRSGFAKATRU-UHFFFAOYSA-N
MW172.21 g/mol
LogP1.16
Rot. Bonds2

About (3-ethyl-1,2-thiazol-4-yl) carbamate

(3-ethyl-1,2-thiazol-4-yl) carbamate (PubChem CID 175535886) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is (3-ethyl-1,2-thiazol-4-yl) carbamate.

Molecular Properties

Compound Name(3-ethyl-1,2-thiazol-4-yl) carbamate
PubChem CID175535886
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC Name(3-ethyl-1,2-thiazol-4-yl) carbamate
SMILESCCc1nscc1OC(N)=O
InChIInChI=1S/C6H8N2O2S/c1-2-4-5(3-11-8-4)10-6(7)9/h3H,2H2,1H3,(H2,7,9)
InChIKeyZPCJRSGFAKATRU-UHFFFAOYSA-N
XLogP1.16
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1,2-thiazol-4-yl) carbamate?
The IUPAC name of (3-ethyl-1,2-thiazol-4-yl) carbamate (CID 175535886) is (3-ethyl-1,2-thiazol-4-yl) carbamate.
What is the SMILES notation for (3-ethyl-1,2-thiazol-4-yl) carbamate?
The canonical SMILES for (3-ethyl-1,2-thiazol-4-yl) carbamate is CCc1nscc1OC(N)=O.
What is the InChIKey of (3-ethyl-1,2-thiazol-4-yl) carbamate?
The InChIKey is ZPCJRSGFAKATRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S/c1-2-4-5(3-11-8-4)10-6(7)9/h3H,2H2,1H3,(H2,7,9).
What are the key properties of (3-ethyl-1,2-thiazol-4-yl) carbamate?
(3-ethyl-1,2-thiazol-4-yl) carbamate has a molecular weight of 172.21 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1,2-thiazol-4-yl) carbamate is sourced from PubChem (CID 175535886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).