4-chloro-5-ethyl-1,3-thiazol-2-amine

C5H7ClN2S — CID 89270600

IUPAC4-chloro-5-ethyl-1,3-thiazol-2-amine
SMILESCCc1sc(N)nc1Cl
InChIInChI=1S/C5H7ClN2S/c1-2-3-4(6)8-5(7)9-3/h2H2,1H3,(H2,7,8)
InChIKeyDTVMHUJBPNPTCL-UHFFFAOYSA-N
MW162.65 g/mol
LogP1.94
Rot. Bonds1

About 4-chloro-5-ethyl-1,3-thiazol-2-amine

4-chloro-5-ethyl-1,3-thiazol-2-amine (PubChem CID 89270600) has the molecular formula C5H7ClN2S and a molecular weight of 162.65 g/mol. Its IUPAC name is 4-chloro-5-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-5-ethyl-1,3-thiazol-2-amine
PubChem CID89270600
Molecular FormulaC5H7ClN2S
Molecular Weight162.65 g/mol
Exact Mass162.00
IUPAC Name4-chloro-5-ethyl-1,3-thiazol-2-amine
SMILESCCc1sc(N)nc1Cl
InChIInChI=1S/C5H7ClN2S/c1-2-3-4(6)8-5(7)9-3/h2H2,1H3,(H2,7,8)
InChIKeyDTVMHUJBPNPTCL-UHFFFAOYSA-N
XLogP1.94
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.65
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethyl-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-5-ethyl-1,3-thiazol-2-amine (CID 89270600) is 4-chloro-5-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-5-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-5-ethyl-1,3-thiazol-2-amine is CCc1sc(N)nc1Cl.
What is the InChIKey of 4-chloro-5-ethyl-1,3-thiazol-2-amine?
The InChIKey is DTVMHUJBPNPTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2S/c1-2-3-4(6)8-5(7)9-3/h2H2,1H3,(H2,7,8).
What are the key properties of 4-chloro-5-ethyl-1,3-thiazol-2-amine?
4-chloro-5-ethyl-1,3-thiazol-2-amine has a molecular weight of 162.65 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 89270600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).