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

C20H27N5OS — CID 126914596

IUPAC2-[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
SMILESO=c1cc2c(nn1CCN1CCN(Cc3nc4c(s3)CCC4)CC1)CCC2
InChIInChI=1S/C20H27N5OS/c26-20-13-15-3-1-4-16(15)22-25(20)12-11-23-7-9-24(10-8-23)14-19-21-17-5-2-6-18(17)27-19/h13H,1-12,14H2
InChIKeyDUZYZHITFWOPRN-UHFFFAOYSA-N
MW385.54 g/mol
LogP1.50
Rot. Bonds5

About 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

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 (PubChem CID 126914596) has the molecular formula C20H27N5OS and a molecular weight of 385.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID126914596
Molecular FormulaC20H27N5OS
Molecular Weight385.54 g/mol
Exact Mass385.19
IUPAC Name2-[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
SMILESO=c1cc2c(nn1CCN1CCN(Cc3nc4c(s3)CCC4)CC1)CCC2
InChIInChI=1S/C20H27N5OS/c26-20-13-15-3-1-4-16(15)22-25(20)12-11-23-7-9-24(10-8-23)14-19-21-17-5-2-6-18(17)27-19/h13H,1-12,14H2
InChIKeyDUZYZHITFWOPRN-UHFFFAOYSA-N
XLogP1.50
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.54
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

2-[2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126916224
2-[2-[4-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126915161
2-[2-[4-(pyridazin-4-ylmethyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126914572
2-[2-[4-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126915022
2-[2-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126914913
2-[[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928312
2-[2-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126915147
2-[2-[4-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126915041
4-[[4-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]piperazin-1-yl]methyl]benzonitrile
CID 126914888
2-[2-[4-[(1-methyl-6-oxo-2-pyridinyl)methyl]piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126914968
2-[2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126914549
2-[2-[4-[(3-cyclopropylimidazol-4-yl)methyl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126914611

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=c1cc2c(nn1CCN1CCN(Cc3nc4c(s3)CCC4)CC1)CCC2.
What is the InChIKey of 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?
The InChIKey is DUZYZHITFWOPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5OS/c26-20-13-15-3-1-4-16(15)22-25(20)12-11-23-7-9-24(10-8-23)14-19-21-17-5-2-6-18(17)27-19/h13H,1-12,14H2.
What are the key properties of 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?
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 has a molecular weight of 385.54 g/mol, XLogP of 1.50, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 126914596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).