6-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione

C19H22N4O2S — CID 17453612

IUPAC6-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(CN2CCC(c3nc4ccccc4s3)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C19H22N4O2S/c1-21-14(11-17(24)22(2)19(21)25)12-23-9-7-13(8-10-23)18-20-15-5-3-4-6-16(15)26-18/h3-6,11,13H,7-10,12H2,1-2H3
InChIKeyKIFVPGUNRAJBKG-UHFFFAOYSA-N
MW370.48 g/mol
LogP2.07
Rot. Bonds3

About 6-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione

6-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 17453612) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 6-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID17453612
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name6-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(CN2CCC(c3nc4ccccc4s3)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C19H22N4O2S/c1-21-14(11-17(24)22(2)19(21)25)12-23-9-7-13(8-10-23)18-20-15-5-3-4-6-16(15)26-18/h3-6,11,13H,7-10,12H2,1-2H3
InChIKeyKIFVPGUNRAJBKG-UHFFFAOYSA-N
XLogP2.07
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione with MolForge

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Related Compounds

2-[1-[(4-tert-butylphenyl)methyl]piperidin-4-yl]-1,3-benzothiazole
CID 3223430
4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]butan-1-ol
CID 110931478
1-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-4,7-dimethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 55729163
6-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-dimethylpyrimidine-2,4-dione
CID 17459392
4-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-1-methylpyridin-2-one
CID 138381620
3-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-tert-butyl-1,2,4-oxadiazole
CID 47034350
6-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol
CID 9362035
1-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione
CID 9241597
methyl 5-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-2-methylfuran-3-carboxylate
CID 9336689
2-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethyl]benzoic acid
CID 136550077
1-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 8623665
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 9337460

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 17453612) is 6-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(CN2CCC(c3nc4ccccc4s3)CC2)cc(=O)n(C)c1=O.
What is the InChIKey of 6-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is KIFVPGUNRAJBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-21-14(11-17(24)22(2)19(21)25)12-23-9-7-13(8-10-23)18-20-15-5-3-4-6-16(15)26-18/h3-6,11,13H,7-10,12H2,1-2H3.
What are the key properties of 6-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 370.48 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 17453612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).