N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-1,3-benzothiazole-5-carboxamide

C16H21N3O2S — CID 56754635

IUPACN-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-1,3-benzothiazole-5-carboxamide
SMILESO=C(NCCN1CCCC(CO)C1)c1ccc2scnc2c1
InChIInChI=1S/C16H21N3O2S/c20-10-12-2-1-6-19(9-12)7-5-17-16(21)13-3-4-15-14(8-13)18-11-22-15/h3-4,8,11-12,20H,1-2,5-7,9-10H2,(H,17,21)
InChIKeyUICAKGDNCHOBBB-UHFFFAOYSA-N
MW319.43 g/mol
LogP1.73
Rot. Bonds5

About N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-1,3-benzothiazole-5-carboxamide

N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-1,3-benzothiazole-5-carboxamide (PubChem CID 56754635) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-1,3-benzothiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-1,3-benzothiazole-5-carboxamide
PubChem CID56754635
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-1,3-benzothiazole-5-carboxamide
SMILESO=C(NCCN1CCCC(CO)C1)c1ccc2scnc2c1
InChIInChI=1S/C16H21N3O2S/c20-10-12-2-1-6-19(9-12)7-5-17-16(21)13-3-4-15-14(8-13)18-11-22-15/h3-4,8,11-12,20H,1-2,5-7,9-10H2,(H,17,21)
InChIKeyUICAKGDNCHOBBB-UHFFFAOYSA-N
XLogP1.73
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-1-benzothiophene-5-carboxamide
CID 70709796
N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]quinoline-6-carboxamide
CID 124754325
N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 74239780
N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(2,4,5-trimethylphenyl)benzamide
CID 126428240
N-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methylsulfanylpyrimidine-5-carboxamide
CID 125155025
N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-1-methylimidazole-2-carboxamide
CID 125161884
N-(1-methylazepan-4-yl)-1,3-benzothiazole-5-carboxamide
CID 142009418
3-benzyl-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176504166
N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-6-methyl-4-oxopyran-2-carboxamide
CID 118791684
N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
CID 74241302
4-(2,5-dimethyl-1H-imidazol-4-yl)-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide;formic acid
CID 154909295
N-(cyclohexylmethyl)-1,3-benzothiazole-6-carboxamide
CID 2093191

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-1,3-benzothiazole-5-carboxamide?
The IUPAC name of N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-1,3-benzothiazole-5-carboxamide (CID 56754635) is N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-1,3-benzothiazole-5-carboxamide.
What is the SMILES notation for N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-1,3-benzothiazole-5-carboxamide?
The canonical SMILES for N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-1,3-benzothiazole-5-carboxamide is O=C(NCCN1CCCC(CO)C1)c1ccc2scnc2c1.
What is the InChIKey of N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-1,3-benzothiazole-5-carboxamide?
The InChIKey is UICAKGDNCHOBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c20-10-12-2-1-6-19(9-12)7-5-17-16(21)13-3-4-15-14(8-13)18-11-22-15/h3-4,8,11-12,20H,1-2,5-7,9-10H2,(H,17,21).
What are the key properties of N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-1,3-benzothiazole-5-carboxamide?
N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-1,3-benzothiazole-5-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-1,3-benzothiazole-5-carboxamide is sourced from PubChem (CID 56754635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).