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

C14H17N3O2S — CID 110890733

IUPAC3-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide
SMILESCc1nc2ccc(NC(=O)N3CCCC(O)C3)cc2s1
InChIInChI=1S/C14H17N3O2S/c1-9-15-12-5-4-10(7-13(12)20-9)16-14(19)17-6-2-3-11(18)8-17/h4-5,7,11,18H,2-3,6,8H2,1H3,(H,16,19)
InChIKeyIKOBTENIVHZAJQ-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.59
Rot. Bonds1

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

3-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide (PubChem CID 110890733) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 3-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide
PubChem CID110890733
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name3-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide
SMILESCc1nc2ccc(NC(=O)N3CCCC(O)C3)cc2s1
InChIInChI=1S/C14H17N3O2S/c1-9-15-12-5-4-10(7-13(12)20-9)16-14(19)17-6-2-3-11(18)8-17/h4-5,7,11,18H,2-3,6,8H2,1H3,(H,16,19)
InChIKeyIKOBTENIVHZAJQ-UHFFFAOYSA-N
XLogP2.59
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)pyrrolidine-1-carboxamide
CID 111431157
(3S)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide
CID 137036839
(3R)-3-hydroxy-N-(5-methoxy-2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide
CID 95601514
(3S)-3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide
CID 97286184
(3R)-N-(3,4-dichlorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 40973267
2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
CID 118786185
3-hydroxy-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 110891069
N-(2-methyl-1,3-benzothiazol-6-yl)-2-oxo-2-[(4S)-4-propylazepan-1-yl]acetamide
CID 97210944
1-(cyclopropanecarbonyl)-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 26115537
N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-(trifluoromethyl)piperidine-1-carboxamide
CID 71882352
2-(cyclopentylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 60848317
(2S)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 125178656

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide?
The IUPAC name of 3-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide (CID 110890733) is 3-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide?
The canonical SMILES for 3-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide is Cc1nc2ccc(NC(=O)N3CCCC(O)C3)cc2s1.
What is the InChIKey of 3-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide?
The InChIKey is IKOBTENIVHZAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-9-15-12-5-4-10(7-13(12)20-9)16-14(19)17-6-2-3-11(18)8-17/h4-5,7,11,18H,2-3,6,8H2,1H3,(H,16,19).
What are the key properties of 3-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide?
3-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 2.59, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide is sourced from PubChem (CID 110890733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).