4-[2-(dimethylamino)ethyl]-2-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]cyclohexa-2,4-dien-1-one

C25H32N4OS — CID 173108769

IUPAC4-[2-(dimethylamino)ethyl]-2-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]cyclohexa-2,4-dien-1-one
SMILESCN(C)CCC1=CCC(=O)C(CC2CCN(Cc3cnc(-c4ccccn4)s3)CC2)=C1
InChIInChI=1S/C25H32N4OS/c1-28(2)12-8-19-6-7-24(30)21(15-19)16-20-9-13-29(14-10-20)18-22-17-27-25(31-22)23-5-3-4-11-26-23/h3-6,11,15,17,20H,7-10,12-14,16,18H2,1-2H3
InChIKeyDCUYJCUURIBULV-UHFFFAOYSA-N
MW436.63 g/mol
LogP4.58
Rot. Bonds8

About 4-[2-(dimethylamino)ethyl]-2-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]cyclohexa-2,4-dien-1-one

4-[2-(dimethylamino)ethyl]-2-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]cyclohexa-2,4-dien-1-one (PubChem CID 173108769) has the molecular formula C25H32N4OS and a molecular weight of 436.63 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl]-2-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl]-2-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]cyclohexa-2,4-dien-1-one
PubChem CID173108769
Molecular FormulaC25H32N4OS
Molecular Weight436.63 g/mol
Exact Mass436.23
IUPAC Name4-[2-(dimethylamino)ethyl]-2-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]cyclohexa-2,4-dien-1-one
SMILESCN(C)CCC1=CCC(=O)C(CC2CCN(Cc3cnc(-c4ccccn4)s3)CC2)=C1
InChIInChI=1S/C25H32N4OS/c1-28(2)12-8-19-6-7-24(30)21(15-19)16-20-9-13-29(14-10-20)18-22-17-27-25(31-22)23-5-3-4-11-26-23/h3-6,11,15,17,20H,7-10,12-14,16,18H2,1-2H3
InChIKeyDCUYJCUURIBULV-UHFFFAOYSA-N
XLogP4.58
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.63
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[2-(dimethylamino)ethyl]-2-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]cyclohexa-2,4-dien-1-one with MolForge

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Related Compounds

chloromethane;[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methanamine
CID 159437389
[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methanamine;trihydrochloride
CID 66989375
methyl-[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]carbamic acid
CID 66989505
N-methyl-4-oxo-N-phenyl-3-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]-1H-quinoline-2-carboxamide
CID 123568595
[4-hydroxy-1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-methylcarbamic acid
CID 66990026
4,5-diamino-6-propoxy-N-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide
CID 70667909
2-pyridin-2-yl-5-[[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-azabicyclo[4.1.0]heptan-3-yl]methyl]-1,3-thiazole
CID 139014702
4-amino-5-cyano-6-(cyclopropylmethylamino)-N-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide
CID 58503935
4-amino-5-cyano-6-(1-hydroxypropan-2-yloxy)-N-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide
CID 66989717
4-amino-6-(3-aminopropylamino)-5-chloro-N-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide
CID 58503920
4-amino-5-cyano-6-(3-hydroxyazetidin-1-yl)-N-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide
CID 58504107
4-amino-5-cyano-6-[[(2S)-1-hydroxybutan-2-yl]amino]-N-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide
CID 58504052

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl]-2-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]cyclohexa-2,4-dien-1-one?
The IUPAC name of 4-[2-(dimethylamino)ethyl]-2-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]cyclohexa-2,4-dien-1-one (CID 173108769) is 4-[2-(dimethylamino)ethyl]-2-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]cyclohexa-2,4-dien-1-one.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl]-2-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]cyclohexa-2,4-dien-1-one?
The canonical SMILES for 4-[2-(dimethylamino)ethyl]-2-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]cyclohexa-2,4-dien-1-one is CN(C)CCC1=CCC(=O)C(CC2CCN(Cc3cnc(-c4ccccn4)s3)CC2)=C1.
What is the InChIKey of 4-[2-(dimethylamino)ethyl]-2-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]cyclohexa-2,4-dien-1-one?
The InChIKey is DCUYJCUURIBULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4OS/c1-28(2)12-8-19-6-7-24(30)21(15-19)16-20-9-13-29(14-10-20)18-22-17-27-25(31-22)23-5-3-4-11-26-23/h3-6,11,15,17,20H,7-10,12-14,16,18H2,1-2H3.
What are the key properties of 4-[2-(dimethylamino)ethyl]-2-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]cyclohexa-2,4-dien-1-one?
4-[2-(dimethylamino)ethyl]-2-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]cyclohexa-2,4-dien-1-one has a molecular weight of 436.63 g/mol, XLogP of 4.58, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl]-2-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 173108769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).