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

C19H21N5OS — CID 126889184

IUPAC1,3-benzothiazol-2-yl-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
SMILESCc1cc(N(C)C2CCN(C(=O)c3nc4ccccc4s3)CC2)ncn1
InChIInChI=1S/C19H21N5OS/c1-13-11-17(21-12-20-13)23(2)14-7-9-24(10-8-14)19(25)18-22-15-5-3-4-6-16(15)26-18/h3-6,11-12,14H,7-10H2,1-2H3
InChIKeyCWFZEILLGCXTGT-UHFFFAOYSA-N
MW367.48 g/mol
LogP3.14
Rot. Bonds3

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

1,3-benzothiazol-2-yl-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone (PubChem CID 126889184) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is 1,3-benzothiazol-2-yl-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name1,3-benzothiazol-2-yl-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
PubChem CID126889184
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC Name1,3-benzothiazol-2-yl-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
SMILESCc1cc(N(C)C2CCN(C(=O)c3nc4ccccc4s3)CC2)ncn1
InChIInChI=1S/C19H21N5OS/c1-13-11-17(21-12-20-13)23(2)14-7-9-24(10-8-14)19(25)18-22-15-5-3-4-6-16(15)26-18/h3-6,11-12,14H,7-10H2,1-2H3
InChIKeyCWFZEILLGCXTGT-UHFFFAOYSA-N
XLogP3.14
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-benzothiazol-2-yl-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone
CID 126888348
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126889178
isoquinolin-1-yl-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126889202
1-[4-(1,3-benzothiazole-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
CID 100816307
4-[1-(1,3-benzothiazole-2-carbonyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 121156264
1,3-benzothiazol-2-yl-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone
CID 126910007
1,3-benzothiazol-2-yl-[4-(1,3-oxazol-2-yl)piperidin-1-yl]methanone
CID 126857975
3-[[1-(1,3-benzothiazole-2-carbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
CID 126943364
3,4-dihydro-1H-isochromen-1-yl-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126889247
4-[1-(1,3-benzothiazole-2-carbonyl)pyrrolidin-3-yl]oxy-1,6-dimethylpyridin-2-one
CID 86265623
4-[methyl-(6-methylpyrimidin-4-yl)amino]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
CID 126889278
1,3-benzothiazol-2-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone;hydrochloride
CID 71783267

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-2-yl-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone?
The IUPAC name of 1,3-benzothiazol-2-yl-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone (CID 126889184) is 1,3-benzothiazol-2-yl-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone.
What is the SMILES notation for 1,3-benzothiazol-2-yl-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone?
The canonical SMILES for 1,3-benzothiazol-2-yl-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone is Cc1cc(N(C)C2CCN(C(=O)c3nc4ccccc4s3)CC2)ncn1.
What is the InChIKey of 1,3-benzothiazol-2-yl-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone?
The InChIKey is CWFZEILLGCXTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-13-11-17(21-12-20-13)23(2)14-7-9-24(10-8-14)19(25)18-22-15-5-3-4-6-16(15)26-18/h3-6,11-12,14H,7-10H2,1-2H3.
What are the key properties of 1,3-benzothiazol-2-yl-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone?
1,3-benzothiazol-2-yl-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone has a molecular weight of 367.48 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-2-yl-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone is sourced from PubChem (CID 126889184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).