2-[2-[4-[2-(2-methyl-1,3-thiazol-5-yl)acetyl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

C19H25N5O2S — CID 126914405

IUPAC2-[2-[4-[2-(2-methyl-1,3-thiazol-5-yl)acetyl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESCc1ncc(CC(=O)N2CCN(CCn3nc4c(cc3=O)CCC4)CC2)s1
InChIInChI=1S/C19H25N5O2S/c1-14-20-13-16(27-14)12-18(25)23-8-5-22(6-9-23)7-10-24-19(26)11-15-3-2-4-17(15)21-24/h11,13H,2-10,12H2,1H3
InChIKeyFPFMVVANLXHZAJ-UHFFFAOYSA-N
MW387.51 g/mol
LogP0.88
Rot. Bonds5

About 2-[2-[4-[2-(2-methyl-1,3-thiazol-5-yl)acetyl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

2-[2-[4-[2-(2-methyl-1,3-thiazol-5-yl)acetyl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (PubChem CID 126914405) has the molecular formula C19H25N5O2S and a molecular weight of 387.51 g/mol. Its IUPAC name is 2-[2-[4-[2-(2-methyl-1,3-thiazol-5-yl)acetyl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-[2-(2-methyl-1,3-thiazol-5-yl)acetyl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
PubChem CID126914405
Molecular FormulaC19H25N5O2S
Molecular Weight387.51 g/mol
Exact Mass387.17
IUPAC Name2-[2-[4-[2-(2-methyl-1,3-thiazol-5-yl)acetyl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESCc1ncc(CC(=O)N2CCN(CCn3nc4c(cc3=O)CCC4)CC2)s1
InChIInChI=1S/C19H25N5O2S/c1-14-20-13-16(27-14)12-18(25)23-8-5-22(6-9-23)7-10-24-19(26)11-15-3-2-4-17(15)21-24/h11,13H,2-10,12H2,1H3
InChIKeyFPFMVVANLXHZAJ-UHFFFAOYSA-N
XLogP0.88
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126914413
2-[2-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126914410
2-[2-[4-(4-bromothiophene-2-carbonyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126914698
2-[2-[4-(3,4-dihydro-1H-isochromene-3-carbonyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126914400
2-[2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126914452
2-[2-[4-(1-methyltriazole-4-carbonyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126914761
2-[2-[4-(7-methoxy-1-benzofuran-2-carbonyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126914341
2-[2-[4-(2-hydroxycyclohexyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126915131
2-[2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126914596
2-[2-[4-(1,1-dioxothiolane-3-carbonyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126914808
2-[2-[4-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126914799
2-[2-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126914913

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[2-(2-methyl-1,3-thiazol-5-yl)acetyl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The IUPAC name of 2-[2-[4-[2-(2-methyl-1,3-thiazol-5-yl)acetyl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (CID 126914405) is 2-[2-[4-[2-(2-methyl-1,3-thiazol-5-yl)acetyl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.
What is the SMILES notation for 2-[2-[4-[2-(2-methyl-1,3-thiazol-5-yl)acetyl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The canonical SMILES for 2-[2-[4-[2-(2-methyl-1,3-thiazol-5-yl)acetyl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is Cc1ncc(CC(=O)N2CCN(CCn3nc4c(cc3=O)CCC4)CC2)s1.
What is the InChIKey of 2-[2-[4-[2-(2-methyl-1,3-thiazol-5-yl)acetyl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The InChIKey is FPFMVVANLXHZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2S/c1-14-20-13-16(27-14)12-18(25)23-8-5-22(6-9-23)7-10-24-19(26)11-15-3-2-4-17(15)21-24/h11,13H,2-10,12H2,1H3.
What are the key properties of 2-[2-[4-[2-(2-methyl-1,3-thiazol-5-yl)acetyl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
2-[2-[4-[2-(2-methyl-1,3-thiazol-5-yl)acetyl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one has a molecular weight of 387.51 g/mol, XLogP of 0.88, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[2-(2-methyl-1,3-thiazol-5-yl)acetyl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is sourced from PubChem (CID 126914405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).