2-(5-chlorothiophen-2-yl)imidazo[2,1-a]phthalazin-6-amine

C14H9ClN4S — CID 3859169

IUPAC2-(5-chlorothiophen-2-yl)imidazo[2,1-a]phthalazin-6-amine
SMILESNc1nn2cc(-c3ccc(Cl)s3)nc2c2ccccc12
InChIInChI=1S/C14H9ClN4S/c15-12-6-5-11(20-12)10-7-19-14(17-10)9-4-2-1-3-8(9)13(16)18-19/h1-7H,(H2,16,18)
InChIKeyZJKMPHYUVJSMLJ-UHFFFAOYSA-N
MW300.77 g/mol
LogP3.85
Rot. Bonds1

About 2-(5-chlorothiophen-2-yl)imidazo[2,1-a]phthalazin-6-amine

2-(5-chlorothiophen-2-yl)imidazo[2,1-a]phthalazin-6-amine (PubChem CID 3859169) has the molecular formula C14H9ClN4S and a molecular weight of 300.77 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)imidazo[2,1-a]phthalazin-6-amine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)imidazo[2,1-a]phthalazin-6-amine
PubChem CID3859169
Molecular FormulaC14H9ClN4S
Molecular Weight300.77 g/mol
Exact Mass300.02
IUPAC Name2-(5-chlorothiophen-2-yl)imidazo[2,1-a]phthalazin-6-amine
SMILESNc1nn2cc(-c3ccc(Cl)s3)nc2c2ccccc12
InChIInChI=1S/C14H9ClN4S/c15-12-6-5-11(20-12)10-7-19-14(17-10)9-4-2-1-3-8(9)13(16)18-19/h1-7H,(H2,16,18)
InChIKeyZJKMPHYUVJSMLJ-UHFFFAOYSA-N
XLogP3.85
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.77
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Thiophen-2-ylimidazo[2,1-a]isoquinoline
CID 763549
4-(5-Chlorothiophen-2-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine
CID 74767207
2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 118525810
9-(3-chlorothiophen-2-yl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
CID 68059989
2-Methylimidazo[2,1-a]phthalazin-6-amine
CID 2998056
N-benzyl-6-chloro-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
CID 808754
3-(3-chloro-4-fluorophenyl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 155563034
3-[5-(3-Chlorophenyl)thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine
CID 164612637
3-[5-(4-Chlorophenyl)thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine
CID 164620855
3-phenyl-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 6419824
3-(1-benzothiophen-2-yl)-N-(2-pyridin-3-ylethyl)imidazo[1,2-b]pyridazin-6-amine
CID 58857883
3-(4-Chlorophenyl)-6-thiophen-2-ylimidazo[1,2-a]pyrazine
CID 117769344

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)imidazo[2,1-a]phthalazin-6-amine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)imidazo[2,1-a]phthalazin-6-amine (CID 3859169) is 2-(5-chlorothiophen-2-yl)imidazo[2,1-a]phthalazin-6-amine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)imidazo[2,1-a]phthalazin-6-amine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)imidazo[2,1-a]phthalazin-6-amine is Nc1nn2cc(-c3ccc(Cl)s3)nc2c2ccccc12.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)imidazo[2,1-a]phthalazin-6-amine?
The InChIKey is ZJKMPHYUVJSMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN4S/c15-12-6-5-11(20-12)10-7-19-14(17-10)9-4-2-1-3-8(9)13(16)18-19/h1-7H,(H2,16,18).
What are the key properties of 2-(5-chlorothiophen-2-yl)imidazo[2,1-a]phthalazin-6-amine?
2-(5-chlorothiophen-2-yl)imidazo[2,1-a]phthalazin-6-amine has a molecular weight of 300.77 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)imidazo[2,1-a]phthalazin-6-amine is sourced from PubChem (CID 3859169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).