2-[2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one

C18H25N5OS — CID 126913754

IUPAC2-[2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CCN2CCN(Cc3nc4c(s3)CCC4)CC2)n1
InChIInChI=1S/C18H25N5OS/c1-14-5-6-18(24)23(20-14)12-11-21-7-9-22(10-8-21)13-17-19-15-3-2-4-16(15)25-17/h5-6H,2-4,7-13H2,1H3
InChIKeyKESSZNIVNHUTFL-UHFFFAOYSA-N
MW359.50 g/mol
LogP1.31
Rot. Bonds5

About 2-[2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one

2-[2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one (PubChem CID 126913754) has the molecular formula C18H25N5OS and a molecular weight of 359.50 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-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one
PubChem CID126913754
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC Name2-[2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CCN2CCN(Cc3nc4c(s3)CCC4)CC2)n1
InChIInChI=1S/C18H25N5OS/c1-14-5-6-18(24)23(20-14)12-11-21-7-9-22(10-8-21)13-17-19-15-3-2-4-16(15)25-17/h5-6H,2-4,7-13H2,1H3
InChIKeyKESSZNIVNHUTFL-UHFFFAOYSA-N
XLogP1.31
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]prop-2-enamide
CID 166419835
1-(4-((5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)methyl)piperazin-1-yl)ethanone
CID 44060292
1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 44060332
1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperazin-1-yl]butan-1-one
CID 44060333
1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperazin-1-yl]pentan-1-one
CID 44060335
N-(2-(3-(2,4-dimethylthiazol-5-yl)-6-oxopyridazin-1(6H)-yl)ethyl)-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 49740234
N-(2-(3-(2,4-dimethylthiazol-5-yl)-6-oxopyridazin-1(6H)-yl)ethyl)-1-ethyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 49740308
N,1-dimethyl-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-1,6-dihydropyridazine-3-carboxamide
CID 118765877
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 118790465
6-tert-butyl-2-({4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}methyl)-2,3-dihydropyridazin-3-one
CID 126857319
2-({4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}methyl)-6-(dimethylamino)-2,3-dihydropyridazin-3-one
CID 126857356
2-({4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}methyl)-5-(dimethylamino)-2,3-dihydropyridazin-3-one
CID 126857386

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-methylpyridazin-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-methylpyridazin-3-one (CID 126913754) is 2-[2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperazin-1-yl]ethyl]-6-methylpyridazin-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-methylpyridazin-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-methylpyridazin-3-one is Cc1ccc(=O)n(CCN2CCN(Cc3nc4c(s3)CCC4)CC2)n1.
What is the InChIKey of 2-[2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one?
The InChIKey is KESSZNIVNHUTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-14-5-6-18(24)23(20-14)12-11-21-7-9-22(10-8-21)13-17-19-15-3-2-4-16(15)25-17/h5-6H,2-4,7-13H2,1H3.
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-methylpyridazin-3-one?
2-[2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one has a molecular weight of 359.50 g/mol, XLogP of 1.31, 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-methylpyridazin-3-one is sourced from PubChem (CID 126913754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).