(3R)-3-hydroxy-N-(5-methoxy-2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide

C15H19N3O3S — CID 95601514

IUPAC(3R)-3-hydroxy-N-(5-methoxy-2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide
SMILESCOc1cc2nc(C)sc2cc1NC(=O)N1CCC[C@@H](O)C1
InChIInChI=1S/C15H19N3O3S/c1-9-16-12-6-13(21-2)11(7-14(12)22-9)17-15(20)18-5-3-4-10(19)8-18/h6-7,10,19H,3-5,8H2,1-2H3,(H,17,20)/t10-/m1/s1
InChIKeyLOAUZYYYNGTQHP-SNVBAGLBSA-N
MW321.40 g/mol
LogP2.60
Rot. Bonds2

About (3R)-3-hydroxy-N-(5-methoxy-2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide

(3R)-3-hydroxy-N-(5-methoxy-2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide (PubChem CID 95601514) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is (3R)-3-hydroxy-N-(5-methoxy-2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-hydroxy-N-(5-methoxy-2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide
PubChem CID95601514
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name(3R)-3-hydroxy-N-(5-methoxy-2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide
SMILESCOc1cc2nc(C)sc2cc1NC(=O)N1CCC[C@@H](O)C1
InChIInChI=1S/C15H19N3O3S/c1-9-16-12-6-13(21-2)11(7-14(12)22-9)17-15(20)18-5-3-4-10(19)8-18/h6-7,10,19H,3-5,8H2,1-2H3,(H,17,20)/t10-/m1/s1
InChIKeyLOAUZYYYNGTQHP-SNVBAGLBSA-N
XLogP2.60
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide
CID 110890733
N-(2-bromo-4,5-dimethoxyphenyl)-3-hydroxypiperidine-1-carboxamide
CID 60569756
(3S)-3-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)pyrrolidine-1-carboxamide
CID 111431157
N-(5-cyano-2-methoxyphenyl)-3-hydroxypiperidine-1-carboxamide
CID 49286927
(3R)-3-hydroxy-N-(2-methoxy-4-methylphenyl)pyrrolidine-1-carboxamide
CID 111431556
N-(5-methoxy-2-methyl-1,3-benzothiazol-6-yl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 154839250
6-[(5-methoxy-2-methyl-1,3-benzothiazol-6-yl)amino]-1-methylazepan-2-one
CID 166305663
(3R)-N-(5-chloro-2-methoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111430962
1-[(2,4,5-trimethoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122087120
(3S)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-hydroxypiperidine-1-carboxamide
CID 126433362
(3S)-3-hydroxy-N-[2-(methoxymethyl)phenyl]piperidine-1-carboxamide
CID 94081574
N-(4-bromo-2,6-dimethylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 47223501

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-N-(5-methoxy-2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide?
The IUPAC name of (3R)-3-hydroxy-N-(5-methoxy-2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide (CID 95601514) is (3R)-3-hydroxy-N-(5-methoxy-2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-hydroxy-N-(5-methoxy-2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-hydroxy-N-(5-methoxy-2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide is COc1cc2nc(C)sc2cc1NC(=O)N1CCC[C@@H](O)C1.
What is the InChIKey of (3R)-3-hydroxy-N-(5-methoxy-2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide?
The InChIKey is LOAUZYYYNGTQHP-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-9-16-12-6-13(21-2)11(7-14(12)22-9)17-15(20)18-5-3-4-10(19)8-18/h6-7,10,19H,3-5,8H2,1-2H3,(H,17,20)/t10-/m1/s1.
What are the key properties of (3R)-3-hydroxy-N-(5-methoxy-2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide?
(3R)-3-hydroxy-N-(5-methoxy-2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-N-(5-methoxy-2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide is sourced from PubChem (CID 95601514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).