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

C19H16ClN5S — CID 155540376

IUPAC4-[1-amino-2-(4-chlorophenyl)ethyl]-N-phthalazin-1-yl-1,3-thiazol-2-amine
SMILESNC(Cc1ccc(Cl)cc1)c1csc(Nc2nncc3ccccc23)n1
InChIInChI=1S/C19H16ClN5S/c20-14-7-5-12(6-8-14)9-16(21)17-11-26-19(23-17)24-18-15-4-2-1-3-13(15)10-22-25-18/h1-8,10-11,16H,9,21H2,(H,23,24,25)
InChIKeyASPYAYFFVODSLV-UHFFFAOYSA-N
MW381.89 g/mol
LogP4.73
Rot. Bonds5

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

4-[1-amino-2-(4-chlorophenyl)ethyl]-N-phthalazin-1-yl-1,3-thiazol-2-amine (PubChem CID 155540376) has the molecular formula C19H16ClN5S and a molecular weight of 381.89 g/mol. Its IUPAC name is 4-[1-amino-2-(4-chlorophenyl)ethyl]-N-phthalazin-1-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[1-amino-2-(4-chlorophenyl)ethyl]-N-phthalazin-1-yl-1,3-thiazol-2-amine
PubChem CID155540376
Molecular FormulaC19H16ClN5S
Molecular Weight381.89 g/mol
Exact Mass381.08
IUPAC Name4-[1-amino-2-(4-chlorophenyl)ethyl]-N-phthalazin-1-yl-1,3-thiazol-2-amine
SMILESNC(Cc1ccc(Cl)cc1)c1csc(Nc2nncc3ccccc23)n1
InChIInChI=1S/C19H16ClN5S/c20-14-7-5-12(6-8-14)9-16(21)17-11-26-19(23-17)24-18-15-4-2-1-3-13(15)10-22-25-18/h1-8,10-11,16H,9,21H2,(H,23,24,25)
InChIKeyASPYAYFFVODSLV-UHFFFAOYSA-N
XLogP4.73
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-amino-2-(4-chlorophenyl)ethyl]-N-phthalazin-1-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-[1-amino-2-(4-chlorophenyl)ethyl]-N-phthalazin-1-yl-1,3-thiazol-2-amine (CID 155540376) is 4-[1-amino-2-(4-chlorophenyl)ethyl]-N-phthalazin-1-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[1-amino-2-(4-chlorophenyl)ethyl]-N-phthalazin-1-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[1-amino-2-(4-chlorophenyl)ethyl]-N-phthalazin-1-yl-1,3-thiazol-2-amine is NC(Cc1ccc(Cl)cc1)c1csc(Nc2nncc3ccccc23)n1.
What is the InChIKey of 4-[1-amino-2-(4-chlorophenyl)ethyl]-N-phthalazin-1-yl-1,3-thiazol-2-amine?
The InChIKey is ASPYAYFFVODSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5S/c20-14-7-5-12(6-8-14)9-16(21)17-11-26-19(23-17)24-18-15-4-2-1-3-13(15)10-22-25-18/h1-8,10-11,16H,9,21H2,(H,23,24,25).
What are the key properties of 4-[1-amino-2-(4-chlorophenyl)ethyl]-N-phthalazin-1-yl-1,3-thiazol-2-amine?
4-[1-amino-2-(4-chlorophenyl)ethyl]-N-phthalazin-1-yl-1,3-thiazol-2-amine has a molecular weight of 381.89 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-amino-2-(4-chlorophenyl)ethyl]-N-phthalazin-1-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 155540376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).