4-chloro-N-cyclohex-3-en-1-yl-1,3-thiazol-2-amine

C9H11ClN2S — CID 83151957

IUPAC4-chloro-N-cyclohex-3-en-1-yl-1,3-thiazol-2-amine
SMILESClc1csc(NC2CC=CCC2)n1
InChIInChI=1S/C9H11ClN2S/c10-8-6-13-9(12-8)11-7-4-2-1-3-5-7/h1-2,6-7H,3-5H2,(H,11,12)
InChIKeyNYGIKWZCTVHFET-UHFFFAOYSA-N
MW214.72 g/mol
LogP3.32
Rot. Bonds2

About 4-chloro-N-cyclohex-3-en-1-yl-1,3-thiazol-2-amine

4-chloro-N-cyclohex-3-en-1-yl-1,3-thiazol-2-amine (PubChem CID 83151957) has the molecular formula C9H11ClN2S and a molecular weight of 214.72 g/mol. Its IUPAC name is 4-chloro-N-cyclohex-3-en-1-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-cyclohex-3-en-1-yl-1,3-thiazol-2-amine
PubChem CID83151957
Molecular FormulaC9H11ClN2S
Molecular Weight214.72 g/mol
Exact Mass214.03
IUPAC Name4-chloro-N-cyclohex-3-en-1-yl-1,3-thiazol-2-amine
SMILESClc1csc(NC2CC=CCC2)n1
InChIInChI=1S/C9H11ClN2S/c10-8-6-13-9(12-8)11-7-4-2-1-3-5-7/h1-2,6-7H,3-5H2,(H,11,12)
InChIKeyNYGIKWZCTVHFET-UHFFFAOYSA-N
XLogP3.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.72
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclohex-3-en-1-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N-cyclohex-3-en-1-yl-1,3-thiazol-2-amine (CID 83151957) is 4-chloro-N-cyclohex-3-en-1-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N-cyclohex-3-en-1-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N-cyclohex-3-en-1-yl-1,3-thiazol-2-amine is Clc1csc(NC2CC=CCC2)n1.
What is the InChIKey of 4-chloro-N-cyclohex-3-en-1-yl-1,3-thiazol-2-amine?
The InChIKey is NYGIKWZCTVHFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2S/c10-8-6-13-9(12-8)11-7-4-2-1-3-5-7/h1-2,6-7H,3-5H2,(H,11,12).
What are the key properties of 4-chloro-N-cyclohex-3-en-1-yl-1,3-thiazol-2-amine?
4-chloro-N-cyclohex-3-en-1-yl-1,3-thiazol-2-amine has a molecular weight of 214.72 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclohex-3-en-1-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 83151957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).