4-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]phthalazin-1-amine

C13H11ClN4S — CID 63824711

IUPAC4-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]phthalazin-1-amine
SMILESClc1nnc(NCCc2cscn2)c2ccccc12
InChIInChI=1S/C13H11ClN4S/c14-12-10-3-1-2-4-11(10)13(18-17-12)15-6-5-9-7-19-8-16-9/h1-4,7-8H,5-6H2,(H,15,18)
InChIKeyCCIRFJLPNRBGFO-UHFFFAOYSA-N
MW290.78 g/mol
LogP3.39
Rot. Bonds4

About 4-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]phthalazin-1-amine

4-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]phthalazin-1-amine (PubChem CID 63824711) has the molecular formula C13H11ClN4S and a molecular weight of 290.78 g/mol. Its IUPAC name is 4-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]phthalazin-1-amine.

Molecular Properties

Compound Name4-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]phthalazin-1-amine
PubChem CID63824711
Molecular FormulaC13H11ClN4S
Molecular Weight290.78 g/mol
Exact Mass290.04
IUPAC Name4-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]phthalazin-1-amine
SMILESClc1nnc(NCCc2cscn2)c2ccccc12
InChIInChI=1S/C13H11ClN4S/c14-12-10-3-1-2-4-11(10)13(18-17-12)15-6-5-9-7-19-8-16-9/h1-4,7-8H,5-6H2,(H,15,18)
InChIKeyCCIRFJLPNRBGFO-UHFFFAOYSA-N
XLogP3.39
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.78
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]phthalazin-1-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-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]phthalazin-1-amine?
The IUPAC name of 4-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]phthalazin-1-amine (CID 63824711) is 4-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]phthalazin-1-amine.
What is the SMILES notation for 4-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]phthalazin-1-amine?
The canonical SMILES for 4-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]phthalazin-1-amine is Clc1nnc(NCCc2cscn2)c2ccccc12.
What is the InChIKey of 4-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]phthalazin-1-amine?
The InChIKey is CCIRFJLPNRBGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4S/c14-12-10-3-1-2-4-11(10)13(18-17-12)15-6-5-9-7-19-8-16-9/h1-4,7-8H,5-6H2,(H,15,18).
What are the key properties of 4-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]phthalazin-1-amine?
4-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]phthalazin-1-amine has a molecular weight of 290.78 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]phthalazin-1-amine is sourced from PubChem (CID 63824711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).