5-methyl-3-[[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one

C19H26N4OS — CID 126940853

IUPAC5-methyl-3-[[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1cncn(CC2CCN(Cc3nc4c(s3)CCCC4)CC2)c1=O
InChIInChI=1S/C19H26N4OS/c1-14-10-20-13-23(19(14)24)11-15-6-8-22(9-7-15)12-18-21-16-4-2-3-5-17(16)25-18/h10,13,15H,2-9,11-12H2,1H3
InChIKeyBSUQZLYAFKTIOU-UHFFFAOYSA-N
MW358.51 g/mol
LogP2.80
Rot. Bonds4

About 5-methyl-3-[[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one

5-methyl-3-[[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126940853) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is 5-methyl-3-[[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-methyl-3-[[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126940853
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Name5-methyl-3-[[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1cncn(CC2CCN(Cc3nc4c(s3)CCCC4)CC2)c1=O
InChIInChI=1S/C19H26N4OS/c1-14-10-20-13-23(19(14)24)11-15-6-8-22(9-7-15)12-18-21-16-4-2-3-5-17(16)25-18/h10,13,15H,2-9,11-12H2,1H3
InChIKeyBSUQZLYAFKTIOU-UHFFFAOYSA-N
XLogP2.80
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-methyl-3-[[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-Dimethyl-6-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]pyrimidine-2,4-dione
CID 138039358
3-({1-[(4,5,6,7-Tetrahydro-1,3-benzothiazol-2-yl)methyl]piperidin-4-yl}methyl)-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
CID 126943617
6-(Difluoromethyl)-3-({1-[(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126944037
6-(Difluoromethyl)-3-{[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl}-3,4-dihydropyrimidin-4-one
CID 126944118
3-Methyl-N-{[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-4-YL]methyl}but-2-enamide
CID 56722238
1-[4-(4,5,6,7-Tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propan-1-one
CID 71683914
7-[[Methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 71864589
2-[[Methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 71981091
1-[4-(4,5,6,7-Tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]butan-1-one
CID 110289956
2-Methyl-1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propan-1-one
CID 110289957
3-Methyl-1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]butan-1-one
CID 110289959
2,2-Dimethyl-1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propan-1-one
CID 110289961

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 5-methyl-3-[[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one (CID 126940853) is 5-methyl-3-[[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 5-methyl-3-[[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 5-methyl-3-[[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one is Cc1cncn(CC2CCN(Cc3nc4c(s3)CCCC4)CC2)c1=O.
What is the InChIKey of 5-methyl-3-[[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is BSUQZLYAFKTIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-14-10-20-13-23(19(14)24)11-15-6-8-22(9-7-15)12-18-21-16-4-2-3-5-17(16)25-18/h10,13,15H,2-9,11-12H2,1H3.
What are the key properties of 5-methyl-3-[[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one?
5-methyl-3-[[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 358.51 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126940853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).