1-[1-(2-methyl-1,3-benzothiazole-6-carbonyl)azetidin-3-yl]piperidine-4-carboxamide

C18H22N4O2S — CID 121153943

IUPAC1-[1-(2-methyl-1,3-benzothiazole-6-carbonyl)azetidin-3-yl]piperidine-4-carboxamide
SMILESCc1nc2ccc(C(=O)N3CC(N4CCC(C(N)=O)CC4)C3)cc2s1
InChIInChI=1S/C18H22N4O2S/c1-11-20-15-3-2-13(8-16(15)25-11)18(24)22-9-14(10-22)21-6-4-12(5-7-21)17(19)23/h2-3,8,12,14H,4-7,9-10H2,1H3,(H2,19,23)
InChIKeyZQOZOGQMMRNTIJ-UHFFFAOYSA-N
MW358.47 g/mol
LogP1.63
Rot. Bonds3

About 1-[1-(2-methyl-1,3-benzothiazole-6-carbonyl)azetidin-3-yl]piperidine-4-carboxamide

1-[1-(2-methyl-1,3-benzothiazole-6-carbonyl)azetidin-3-yl]piperidine-4-carboxamide (PubChem CID 121153943) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is 1-[1-(2-methyl-1,3-benzothiazole-6-carbonyl)azetidin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(2-methyl-1,3-benzothiazole-6-carbonyl)azetidin-3-yl]piperidine-4-carboxamide
PubChem CID121153943
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name1-[1-(2-methyl-1,3-benzothiazole-6-carbonyl)azetidin-3-yl]piperidine-4-carboxamide
SMILESCc1nc2ccc(C(=O)N3CC(N4CCC(C(N)=O)CC4)C3)cc2s1
InChIInChI=1S/C18H22N4O2S/c1-11-20-15-3-2-13(8-16(15)25-11)18(24)22-9-14(10-22)21-6-4-12(5-7-21)17(19)23/h2-3,8,12,14H,4-7,9-10H2,1H3,(H2,19,23)
InChIKeyZQOZOGQMMRNTIJ-UHFFFAOYSA-N
XLogP1.63
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methyl-1,3-benzothiazol-6-yl)-piperidin-1-ylmethanone
CID 3581764
1-[1-(thiophene-3-carbonyl)azetidin-3-yl]piperidine-4-carboxamide
CID 121153785
(2-amino-1,3-benzothiazol-6-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 79180940
1-[1-(3,4,5-trimethoxybenzoyl)azetidin-3-yl]piperidine-4-carboxamide
CID 121153961
(2-amino-1,3-benzothiazol-6-yl)-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220608
[4-(hydroxymethyl)-4-methylpiperidin-1-yl]-(2-methyl-1,3-benzothiazol-6-yl)methanone
CID 136536370
1-[1-(3,4,5-triethoxybenzoyl)azetidin-3-yl]piperidine-4-carboxamide
CID 121154021
(2-methyl-1,3-benzothiazol-6-yl)-[3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone
CID 110252485
1-[[(3R)-1-(2-methyl-1,3-benzothiazole-6-carbonyl)piperidin-3-yl]methyl]triazole-4-carboxylic acid
CID 95206656
1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 2935139
1-[1-[4-[(3-methylphenyl)sulfonylamino]benzoyl]azetidin-3-yl]piperidine-4-carboxamide
CID 121153895
(3S)-1-(2,3-dimethylquinoxaline-6-carbonyl)piperidine-3-carboxamide
CID 94457790

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methyl-1,3-benzothiazole-6-carbonyl)azetidin-3-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-(2-methyl-1,3-benzothiazole-6-carbonyl)azetidin-3-yl]piperidine-4-carboxamide (CID 121153943) is 1-[1-(2-methyl-1,3-benzothiazole-6-carbonyl)azetidin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(2-methyl-1,3-benzothiazole-6-carbonyl)azetidin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(2-methyl-1,3-benzothiazole-6-carbonyl)azetidin-3-yl]piperidine-4-carboxamide is Cc1nc2ccc(C(=O)N3CC(N4CCC(C(N)=O)CC4)C3)cc2s1.
What is the InChIKey of 1-[1-(2-methyl-1,3-benzothiazole-6-carbonyl)azetidin-3-yl]piperidine-4-carboxamide?
The InChIKey is ZQOZOGQMMRNTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-11-20-15-3-2-13(8-16(15)25-11)18(24)22-9-14(10-22)21-6-4-12(5-7-21)17(19)23/h2-3,8,12,14H,4-7,9-10H2,1H3,(H2,19,23).
What are the key properties of 1-[1-(2-methyl-1,3-benzothiazole-6-carbonyl)azetidin-3-yl]piperidine-4-carboxamide?
1-[1-(2-methyl-1,3-benzothiazole-6-carbonyl)azetidin-3-yl]piperidine-4-carboxamide has a molecular weight of 358.47 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methyl-1,3-benzothiazole-6-carbonyl)azetidin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 121153943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).