1,3-benzothiazol-2-yl-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone

C19H22N6OS — CID 126888348

IUPAC1,3-benzothiazol-2-yl-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone
SMILESCN(C)c1cc(NC2CCN(C(=O)c3nc4ccccc4s3)CC2)ncn1
InChIInChI=1S/C19H22N6OS/c1-24(2)17-11-16(20-12-21-17)22-13-7-9-25(10-8-13)19(26)18-23-14-5-3-4-6-15(14)27-18/h3-6,11-13H,7-10H2,1-2H3,(H,20,21,22)
InChIKeyGIBZORUOXRLVMA-UHFFFAOYSA-N
MW382.49 g/mol
LogP2.87
Rot. Bonds4

About 1,3-benzothiazol-2-yl-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone

1,3-benzothiazol-2-yl-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone (PubChem CID 126888348) has the molecular formula C19H22N6OS and a molecular weight of 382.49 g/mol. Its IUPAC name is 1,3-benzothiazol-2-yl-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name1,3-benzothiazol-2-yl-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone
PubChem CID126888348
Molecular FormulaC19H22N6OS
Molecular Weight382.49 g/mol
Exact Mass382.16
IUPAC Name1,3-benzothiazol-2-yl-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone
SMILESCN(C)c1cc(NC2CCN(C(=O)c3nc4ccccc4s3)CC2)ncn1
InChIInChI=1S/C19H22N6OS/c1-24(2)17-11-16(20-12-21-17)22-13-7-9-25(10-8-13)19(26)18-23-14-5-3-4-6-15(14)27-18/h3-6,11-13H,7-10H2,1-2H3,(H,20,21,22)
InChIKeyGIBZORUOXRLVMA-UHFFFAOYSA-N
XLogP2.87
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1,3-benzothiazol-2-yl-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone with MolForge

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Related Compounds

(2-chlorophenyl)-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone
CID 171334208
1,3-benzothiazol-2-yl-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126889184
3H-benzimidazol-5-yl-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone
CID 126888383
3-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 126888381
[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-(4-methylcyclohexyl)methanone
CID 126888429
[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 126888363
6-N-[1-(benzenesulfonyl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 171689746
4-[[6-(dimethylamino)pyrimidin-4-yl]amino]-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 171689724
1-(azepan-1-yl)-2-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone
CID 146079543
4-[1-(1,3-benzothiazole-2-carbonyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 121156264
1-[4-(1,3-benzothiazole-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
CID 100816307
6-N-cyclopentyl-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 122281906

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-2-yl-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone?
The IUPAC name of 1,3-benzothiazol-2-yl-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone (CID 126888348) is 1,3-benzothiazol-2-yl-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone.
What is the SMILES notation for 1,3-benzothiazol-2-yl-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone?
The canonical SMILES for 1,3-benzothiazol-2-yl-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone is CN(C)c1cc(NC2CCN(C(=O)c3nc4ccccc4s3)CC2)ncn1.
What is the InChIKey of 1,3-benzothiazol-2-yl-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone?
The InChIKey is GIBZORUOXRLVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6OS/c1-24(2)17-11-16(20-12-21-17)22-13-7-9-25(10-8-13)19(26)18-23-14-5-3-4-6-15(14)27-18/h3-6,11-13H,7-10H2,1-2H3,(H,20,21,22).
What are the key properties of 1,3-benzothiazol-2-yl-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone?
1,3-benzothiazol-2-yl-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone has a molecular weight of 382.49 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-2-yl-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 126888348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).