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

C13H12N4S — CID 63240436

IUPACN-[2-(1,3-thiazol-2-yl)ethyl]phthalazin-1-amine
SMILESc1ccc2c(NCCc3nccs3)nncc2c1
InChIInChI=1S/C13H12N4S/c1-2-4-11-10(3-1)9-16-17-13(11)15-6-5-12-14-7-8-18-12/h1-4,7-9H,5-6H2,(H,15,17)
InChIKeyRBYYBFDLFDUSKT-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.74
Rot. Bonds4

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

N-[2-(1,3-thiazol-2-yl)ethyl]phthalazin-1-amine (PubChem CID 63240436) has the molecular formula C13H12N4S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-[2-(1,3-thiazol-2-yl)ethyl]phthalazin-1-amine.

Molecular Properties

Compound NameN-[2-(1,3-thiazol-2-yl)ethyl]phthalazin-1-amine
PubChem CID63240436
Molecular FormulaC13H12N4S
Molecular Weight256.33 g/mol
Exact Mass256.08
IUPAC NameN-[2-(1,3-thiazol-2-yl)ethyl]phthalazin-1-amine
SMILESc1ccc2c(NCCc3nccs3)nncc2c1
InChIInChI=1S/C13H12N4S/c1-2-4-11-10(3-1)9-16-17-13(11)15-6-5-12-14-7-8-18-12/h1-4,7-9H,5-6H2,(H,15,17)
InChIKeyRBYYBFDLFDUSKT-UHFFFAOYSA-N
XLogP2.74
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(phthalazin-1-ylamino)ethanol
CID 2065587
N-[2-(4-aminophenyl)ethyl]phthalazin-1-amine
CID 61220609
3-N-[2-(1,3-thiazol-2-yl)ethyl]quinoxaline-2,3-diamine
CID 102984316
3-(phthalazin-1-ylamino)propanoic acid
CID 43419849
N-[2-(1,3-thiazol-2-yl)ethyl]quinoxalin-2-amine
CID 49432129
N-(2,2-difluoroethyl)phthalazin-1-amine
CID 115407622
N-[2-(2-aminoethoxy)ethyl]phthalazin-1-amine
CID 63767046
N-(cyclopropylmethyl)phthalazin-1-amine
CID 43419855
methyl 6-(phthalazin-1-ylamino)hexanoate
CID 60631363
2-(phthalazin-1-ylamino)acetamide
CID 43395562
2-[2-(1,3-thiazol-2-yl)ethylamino]quinoline-4-carbothioamide
CID 63884768
5-bromo-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80827758

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-thiazol-2-yl)ethyl]phthalazin-1-amine?
The IUPAC name of N-[2-(1,3-thiazol-2-yl)ethyl]phthalazin-1-amine (CID 63240436) is N-[2-(1,3-thiazol-2-yl)ethyl]phthalazin-1-amine.
What is the SMILES notation for N-[2-(1,3-thiazol-2-yl)ethyl]phthalazin-1-amine?
The canonical SMILES for N-[2-(1,3-thiazol-2-yl)ethyl]phthalazin-1-amine is c1ccc2c(NCCc3nccs3)nncc2c1.
What is the InChIKey of N-[2-(1,3-thiazol-2-yl)ethyl]phthalazin-1-amine?
The InChIKey is RBYYBFDLFDUSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S/c1-2-4-11-10(3-1)9-16-17-13(11)15-6-5-12-14-7-8-18-12/h1-4,7-9H,5-6H2,(H,15,17).
What are the key properties of N-[2-(1,3-thiazol-2-yl)ethyl]phthalazin-1-amine?
N-[2-(1,3-thiazol-2-yl)ethyl]phthalazin-1-amine has a molecular weight of 256.33 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-thiazol-2-yl)ethyl]phthalazin-1-amine is sourced from PubChem (CID 63240436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).