[4-(hydroxymethyl)-4-methylpiperidin-1-yl]-(2-methyl-1,3-benzothiazol-6-yl)methanone

C16H20N2O2S — CID 136536370

IUPAC[4-(hydroxymethyl)-4-methylpiperidin-1-yl]-(2-methyl-1,3-benzothiazol-6-yl)methanone
SMILESCc1nc2ccc(C(=O)N3CCC(C)(CO)CC3)cc2s1
InChIInChI=1S/C16H20N2O2S/c1-11-17-13-4-3-12(9-14(13)21-11)15(20)18-7-5-16(2,10-19)6-8-18/h3-4,9,19H,5-8,10H2,1-2H3
InChIKeyGGCFOYOWVBULMD-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.84
Rot. Bonds2

About [4-(hydroxymethyl)-4-methylpiperidin-1-yl]-(2-methyl-1,3-benzothiazol-6-yl)methanone

[4-(hydroxymethyl)-4-methylpiperidin-1-yl]-(2-methyl-1,3-benzothiazol-6-yl)methanone (PubChem CID 136536370) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is [4-(hydroxymethyl)-4-methylpiperidin-1-yl]-(2-methyl-1,3-benzothiazol-6-yl)methanone.

Molecular Properties

Compound Name[4-(hydroxymethyl)-4-methylpiperidin-1-yl]-(2-methyl-1,3-benzothiazol-6-yl)methanone
PubChem CID136536370
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name[4-(hydroxymethyl)-4-methylpiperidin-1-yl]-(2-methyl-1,3-benzothiazol-6-yl)methanone
SMILESCc1nc2ccc(C(=O)N3CCC(C)(CO)CC3)cc2s1
InChIInChI=1S/C16H20N2O2S/c1-11-17-13-4-3-12(9-14(13)21-11)15(20)18-7-5-16(2,10-19)6-8-18/h3-4,9,19H,5-8,10H2,1-2H3
InChIKeyGGCFOYOWVBULMD-UHFFFAOYSA-N
XLogP2.84
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methyl-1,3-benzothiazol-6-yl)-piperidin-1-ylmethanone
CID 3581764
(2-methoxy-1,3-benzothiazol-6-yl)-morpholin-4-ylmethanone
CID 177077642
1-(1,3-benzothiazole-6-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63123521
1-[1-(2-methyl-1,3-benzothiazole-6-carbonyl)azetidin-3-yl]piperidine-4-carboxamide
CID 121153943
(3S)-1'-(2-methyl-1,3-benzothiazole-6-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 99883017
N-(2-hydroxyethyl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 5210335
(2-amino-1,3-benzothiazol-6-yl)-(4-methylpiperazin-1-yl)methanone;dihydrochloride
CID 75366132
(2-amino-1,3-benzothiazol-6-yl)-(4-propylpiperazin-1-yl)methanone
CID 60656782
1-[[(3R)-1-(2-methyl-1,3-benzothiazole-6-carbonyl)piperidin-3-yl]methyl]triazole-4-carboxylic acid
CID 95206656
(3,4-dimethylphenyl)-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7538926
1-benzoyl-N-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 126781974
(2-methyl-1,3-benzothiazol-6-yl)-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 164694060

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-4-methylpiperidin-1-yl]-(2-methyl-1,3-benzothiazol-6-yl)methanone?
The IUPAC name of [4-(hydroxymethyl)-4-methylpiperidin-1-yl]-(2-methyl-1,3-benzothiazol-6-yl)methanone (CID 136536370) is [4-(hydroxymethyl)-4-methylpiperidin-1-yl]-(2-methyl-1,3-benzothiazol-6-yl)methanone.
What is the SMILES notation for [4-(hydroxymethyl)-4-methylpiperidin-1-yl]-(2-methyl-1,3-benzothiazol-6-yl)methanone?
The canonical SMILES for [4-(hydroxymethyl)-4-methylpiperidin-1-yl]-(2-methyl-1,3-benzothiazol-6-yl)methanone is Cc1nc2ccc(C(=O)N3CCC(C)(CO)CC3)cc2s1.
What is the InChIKey of [4-(hydroxymethyl)-4-methylpiperidin-1-yl]-(2-methyl-1,3-benzothiazol-6-yl)methanone?
The InChIKey is GGCFOYOWVBULMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-11-17-13-4-3-12(9-14(13)21-11)15(20)18-7-5-16(2,10-19)6-8-18/h3-4,9,19H,5-8,10H2,1-2H3.
What are the key properties of [4-(hydroxymethyl)-4-methylpiperidin-1-yl]-(2-methyl-1,3-benzothiazol-6-yl)methanone?
[4-(hydroxymethyl)-4-methylpiperidin-1-yl]-(2-methyl-1,3-benzothiazol-6-yl)methanone has a molecular weight of 304.42 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-4-methylpiperidin-1-yl]-(2-methyl-1,3-benzothiazol-6-yl)methanone is sourced from PubChem (CID 136536370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).