N-(5-fluoro-6-methyl-1,3-benzothiazol-2-yl)-3-(hydroxymethyl)-5-methylpiperidine-1-carboxamide

C16H20FN3O2S — CID 136548402

IUPACN-(5-fluoro-6-methyl-1,3-benzothiazol-2-yl)-3-(hydroxymethyl)-5-methylpiperidine-1-carboxamide
SMILESCc1cc2sc(NC(=O)N3CC(C)CC(CO)C3)nc2cc1F
InChIInChI=1S/C16H20FN3O2S/c1-9-3-11(8-21)7-20(6-9)16(22)19-15-18-13-5-12(17)10(2)4-14(13)23-15/h4-5,9,11,21H,3,6-8H2,1-2H3,(H,18,19,22)
InChIKeyXWQCSQGRQQEJJP-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.23
Rot. Bonds2

About N-(5-fluoro-6-methyl-1,3-benzothiazol-2-yl)-3-(hydroxymethyl)-5-methylpiperidine-1-carboxamide

N-(5-fluoro-6-methyl-1,3-benzothiazol-2-yl)-3-(hydroxymethyl)-5-methylpiperidine-1-carboxamide (PubChem CID 136548402) has the molecular formula C16H20FN3O2S and a molecular weight of 337.42 g/mol. Its IUPAC name is N-(5-fluoro-6-methyl-1,3-benzothiazol-2-yl)-3-(hydroxymethyl)-5-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-6-methyl-1,3-benzothiazol-2-yl)-3-(hydroxymethyl)-5-methylpiperidine-1-carboxamide
PubChem CID136548402
Molecular FormulaC16H20FN3O2S
Molecular Weight337.42 g/mol
Exact Mass337.13
IUPAC NameN-(5-fluoro-6-methyl-1,3-benzothiazol-2-yl)-3-(hydroxymethyl)-5-methylpiperidine-1-carboxamide
SMILESCc1cc2sc(NC(=O)N3CC(C)CC(CO)C3)nc2cc1F
InChIInChI=1S/C16H20FN3O2S/c1-9-3-11(8-21)7-20(6-9)16(22)19-15-18-13-5-12(17)10(2)4-14(13)23-15/h4-5,9,11,21H,3,6-8H2,1-2H3,(H,18,19,22)
InChIKeyXWQCSQGRQQEJJP-UHFFFAOYSA-N
XLogP3.23
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-yl)-3,5-dimethylpiperidine-1-carboxamide
CID 46699373
3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
CID 115581786
N-(2,2-difluoro-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxamide
CID 127333421
(3S)-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-4-[5-[(2R)-2,3-dihydroxypropyl]-3-fluoro-2-pyridinyl]-3-methylpiperazine-1-carboxamide
CID 88875915
N-(5-fluoro-6-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 141404422
N-(2,2-difluoro-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-(dimethylamino)piperidine-1-carboxamide
CID 167855696
(4aR,8aR)-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 9118744
N-(5,6-difluoro-1,3-benzothiazol-2-yl)-4-[5-(2,3-dihydroxypropyl)-3-fluoro-2-pyridinyl]piperazine-1-carboxamide
CID 123363332
N-(1,3-benzothiazol-2-yl)-4-[3-fluoro-5-(3-hydroxypropyl)-2-pyridinyl]-3-methylpiperazine-1-carboxamide
CID 123874857
(3S)-N-[5-(3-hydroxypropyl)-4-methyl-1,3-thiazol-2-yl]-3-methylpyrrolidine-1-carboxamide
CID 145485919
N-(5,6-difluoro-1,3-benzothiazol-2-yl)imidazole-1-carboxamide
CID 88547492
N-[6-(2-fluoro-6-methylphenyl)-1,3-benzothiazol-2-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide
CID 138504798

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-6-methyl-1,3-benzothiazol-2-yl)-3-(hydroxymethyl)-5-methylpiperidine-1-carboxamide?
The IUPAC name of N-(5-fluoro-6-methyl-1,3-benzothiazol-2-yl)-3-(hydroxymethyl)-5-methylpiperidine-1-carboxamide (CID 136548402) is N-(5-fluoro-6-methyl-1,3-benzothiazol-2-yl)-3-(hydroxymethyl)-5-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(5-fluoro-6-methyl-1,3-benzothiazol-2-yl)-3-(hydroxymethyl)-5-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(5-fluoro-6-methyl-1,3-benzothiazol-2-yl)-3-(hydroxymethyl)-5-methylpiperidine-1-carboxamide is Cc1cc2sc(NC(=O)N3CC(C)CC(CO)C3)nc2cc1F.
What is the InChIKey of N-(5-fluoro-6-methyl-1,3-benzothiazol-2-yl)-3-(hydroxymethyl)-5-methylpiperidine-1-carboxamide?
The InChIKey is XWQCSQGRQQEJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2S/c1-9-3-11(8-21)7-20(6-9)16(22)19-15-18-13-5-12(17)10(2)4-14(13)23-15/h4-5,9,11,21H,3,6-8H2,1-2H3,(H,18,19,22).
What are the key properties of N-(5-fluoro-6-methyl-1,3-benzothiazol-2-yl)-3-(hydroxymethyl)-5-methylpiperidine-1-carboxamide?
N-(5-fluoro-6-methyl-1,3-benzothiazol-2-yl)-3-(hydroxymethyl)-5-methylpiperidine-1-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-6-methyl-1,3-benzothiazol-2-yl)-3-(hydroxymethyl)-5-methylpiperidine-1-carboxamide is sourced from PubChem (CID 136548402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).