4-chloro-N-ethyl-1,3-thiazol-2-amine

C5H7ClN2S — CID 83157418

IUPAC4-chloro-N-ethyl-1,3-thiazol-2-amine
SMILESCCNc1nc(Cl)cs1
InChIInChI=1S/C5H7ClN2S/c1-2-7-5-8-4(6)3-9-5/h3H,2H2,1H3,(H,7,8)
InChIKeyWMLSIINMMPJHTC-UHFFFAOYSA-N
MW162.65 g/mol
LogP2.23
Rot. Bonds2

About 4-chloro-N-ethyl-1,3-thiazol-2-amine

4-chloro-N-ethyl-1,3-thiazol-2-amine (PubChem CID 83157418) has the molecular formula C5H7ClN2S and a molecular weight of 162.65 g/mol. Its IUPAC name is 4-chloro-N-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-ethyl-1,3-thiazol-2-amine
PubChem CID83157418
Molecular FormulaC5H7ClN2S
Molecular Weight162.65 g/mol
Exact Mass162.00
IUPAC Name4-chloro-N-ethyl-1,3-thiazol-2-amine
SMILESCCNc1nc(Cl)cs1
InChIInChI=1S/C5H7ClN2S/c1-2-7-5-8-4(6)3-9-5/h3H,2H2,1H3,(H,7,8)
InChIKeyWMLSIINMMPJHTC-UHFFFAOYSA-N
XLogP2.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.65
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N-ethyl-1,3-thiazol-2-amine (CID 83157418) is 4-chloro-N-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N-ethyl-1,3-thiazol-2-amine is CCNc1nc(Cl)cs1.
What is the InChIKey of 4-chloro-N-ethyl-1,3-thiazol-2-amine?
The InChIKey is WMLSIINMMPJHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2S/c1-2-7-5-8-4(6)3-9-5/h3H,2H2,1H3,(H,7,8).
What are the key properties of 4-chloro-N-ethyl-1,3-thiazol-2-amine?
4-chloro-N-ethyl-1,3-thiazol-2-amine has a molecular weight of 162.65 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 83157418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).