2-[(4-cyclopentyl-1,3-thiazol-2-yl)methyl]phthalazin-1-one

C17H17N3OS — CID 127265469

IUPAC2-[(4-cyclopentyl-1,3-thiazol-2-yl)methyl]phthalazin-1-one
SMILESO=c1c2ccccc2cnn1Cc1nc(C2CCCC2)cs1
InChIInChI=1S/C17H17N3OS/c21-17-14-8-4-3-7-13(14)9-18-20(17)10-16-19-15(11-22-16)12-5-1-2-6-12/h3-4,7-9,11-12H,1-2,5-6,10H2
InChIKeyVRMWAZDOZXTDGV-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.56
Rot. Bonds3

About 2-[(4-cyclopentyl-1,3-thiazol-2-yl)methyl]phthalazin-1-one

2-[(4-cyclopentyl-1,3-thiazol-2-yl)methyl]phthalazin-1-one (PubChem CID 127265469) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-[(4-cyclopentyl-1,3-thiazol-2-yl)methyl]phthalazin-1-one.

Molecular Properties

Compound Name2-[(4-cyclopentyl-1,3-thiazol-2-yl)methyl]phthalazin-1-one
PubChem CID127265469
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name2-[(4-cyclopentyl-1,3-thiazol-2-yl)methyl]phthalazin-1-one
SMILESO=c1c2ccccc2cnn1Cc1nc(C2CCCC2)cs1
InChIInChI=1S/C17H17N3OS/c21-17-14-8-4-3-7-13(14)9-18-20(17)10-16-19-15(11-22-16)12-5-1-2-6-12/h3-4,7-9,11-12H,1-2,5-6,10H2
InChIKeyVRMWAZDOZXTDGV-UHFFFAOYSA-N
XLogP3.56
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-cyclohexylimidazol-4-yl)methyl]phthalazin-1-one
CID 72936950
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1-oxophthalazin-2-yl)acetamide
CID 46577030
2-(pyrrolidin-1-ylmethyl)phthalazin-1-one
CID 35869698
2-[[2-(aminomethyl)phenyl]methyl]phthalazin-1-one
CID 16782938
2-(3-oxobutyl)phthalazin-1-one
CID 60724062
2-[2-(1-oxophthalazin-2-yl)sulfanylcyclohexyl]sulfanylphthalazin-1-one
CID 21495881
2-(bromomethyl)-4-cyclopentyl-1,3-thiazole
CID 116970375
N-[2-(cycloheptylamino)ethyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 119619251
2-[[4-(2-cyclopentylacetyl)piperazin-1-yl]methyl]phthalazin-1-one
CID 37301489
2-(quinolin-2-ylmethyl)phthalazin-1-one
CID 72909560
N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(1-oxophthalazin-2-yl)acetamide
CID 36545692
2-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]phthalazin-1-one
CID 72859561

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopentyl-1,3-thiazol-2-yl)methyl]phthalazin-1-one?
The IUPAC name of 2-[(4-cyclopentyl-1,3-thiazol-2-yl)methyl]phthalazin-1-one (CID 127265469) is 2-[(4-cyclopentyl-1,3-thiazol-2-yl)methyl]phthalazin-1-one.
What is the SMILES notation for 2-[(4-cyclopentyl-1,3-thiazol-2-yl)methyl]phthalazin-1-one?
The canonical SMILES for 2-[(4-cyclopentyl-1,3-thiazol-2-yl)methyl]phthalazin-1-one is O=c1c2ccccc2cnn1Cc1nc(C2CCCC2)cs1.
What is the InChIKey of 2-[(4-cyclopentyl-1,3-thiazol-2-yl)methyl]phthalazin-1-one?
The InChIKey is VRMWAZDOZXTDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c21-17-14-8-4-3-7-13(14)9-18-20(17)10-16-19-15(11-22-16)12-5-1-2-6-12/h3-4,7-9,11-12H,1-2,5-6,10H2.
What are the key properties of 2-[(4-cyclopentyl-1,3-thiazol-2-yl)methyl]phthalazin-1-one?
2-[(4-cyclopentyl-1,3-thiazol-2-yl)methyl]phthalazin-1-one has a molecular weight of 311.41 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopentyl-1,3-thiazol-2-yl)methyl]phthalazin-1-one is sourced from PubChem (CID 127265469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).