4-(1-chloroprop-2-enyl)-1,3-thiazol-2-amine

C6H7ClN2S — CID 88675618

IUPAC4-(1-chloroprop-2-enyl)-1,3-thiazol-2-amine
SMILESC=CC(Cl)c1csc(N)n1
InChIInChI=1S/C6H7ClN2S/c1-2-4(7)5-3-10-6(8)9-5/h2-4H,1H2,(H2,8,9)
InChIKeyMSHVZQIRYGLEMT-UHFFFAOYSA-N
MW174.66 g/mol
LogP2.19
Rot. Bonds2

About 4-(1-chloroprop-2-enyl)-1,3-thiazol-2-amine

4-(1-chloroprop-2-enyl)-1,3-thiazol-2-amine (PubChem CID 88675618) has the molecular formula C6H7ClN2S and a molecular weight of 174.66 g/mol. Its IUPAC name is 4-(1-chloroprop-2-enyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1-chloroprop-2-enyl)-1,3-thiazol-2-amine
PubChem CID88675618
Molecular FormulaC6H7ClN2S
Molecular Weight174.66 g/mol
Exact Mass174.00
IUPAC Name4-(1-chloroprop-2-enyl)-1,3-thiazol-2-amine
SMILESC=CC(Cl)c1csc(N)n1
InChIInChI=1S/C6H7ClN2S/c1-2-4(7)5-3-10-6(8)9-5/h2-4H,1H2,(H2,8,9)
InChIKeyMSHVZQIRYGLEMT-UHFFFAOYSA-N
XLogP2.19
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.66
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(1-chloroprop-2-enyl)-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1-chloroprop-2-enyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(1-chloroprop-2-enyl)-1,3-thiazol-2-amine (CID 88675618) is 4-(1-chloroprop-2-enyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1-chloroprop-2-enyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1-chloroprop-2-enyl)-1,3-thiazol-2-amine is C=CC(Cl)c1csc(N)n1.
What is the InChIKey of 4-(1-chloroprop-2-enyl)-1,3-thiazol-2-amine?
The InChIKey is MSHVZQIRYGLEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2S/c1-2-4(7)5-3-10-6(8)9-5/h2-4H,1H2,(H2,8,9).
What are the key properties of 4-(1-chloroprop-2-enyl)-1,3-thiazol-2-amine?
4-(1-chloroprop-2-enyl)-1,3-thiazol-2-amine has a molecular weight of 174.66 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-chloroprop-2-enyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 88675618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).