N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-4-(3,3-dimethylazetidin-2-yl)piperidine-1-carboxamide

C21H28N4OS — CID 128749827

IUPACN-(2-cyclopropyl-1,3-benzothiazol-6-yl)-4-(3,3-dimethylazetidin-2-yl)piperidine-1-carboxamide
SMILESCC1(C)CNC1C1CCN(C(=O)Nc2ccc3nc(C4CC4)sc3c2)CC1
InChIInChI=1S/C21H28N4OS/c1-21(2)12-22-18(21)13-7-9-25(10-8-13)20(26)23-15-5-6-16-17(11-15)27-19(24-16)14-3-4-14/h5-6,11,13-14,18,22H,3-4,7-10,12H2,1-2H3,(H,23,26)
InChIKeyLAQPGHWAXBNNEH-UHFFFAOYSA-N
MW384.55 g/mol
LogP4.42
Rot. Bonds3

About N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-4-(3,3-dimethylazetidin-2-yl)piperidine-1-carboxamide

N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-4-(3,3-dimethylazetidin-2-yl)piperidine-1-carboxamide (PubChem CID 128749827) has the molecular formula C21H28N4OS and a molecular weight of 384.55 g/mol. Its IUPAC name is N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-4-(3,3-dimethylazetidin-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-1,3-benzothiazol-6-yl)-4-(3,3-dimethylazetidin-2-yl)piperidine-1-carboxamide
PubChem CID128749827
Molecular FormulaC21H28N4OS
Molecular Weight384.55 g/mol
Exact Mass384.20
IUPAC NameN-(2-cyclopropyl-1,3-benzothiazol-6-yl)-4-(3,3-dimethylazetidin-2-yl)piperidine-1-carboxamide
SMILESCC1(C)CNC1C1CCN(C(=O)Nc2ccc3nc(C4CC4)sc3c2)CC1
InChIInChI=1S/C21H28N4OS/c1-21(2)12-22-18(21)13-7-9-25(10-8-13)20(26)23-15-5-6-16-17(11-15)27-19(24-16)14-3-4-14/h5-6,11,13-14,18,22H,3-4,7-10,12H2,1-2H3,(H,23,26)
InChIKeyLAQPGHWAXBNNEH-UHFFFAOYSA-N
XLogP4.42
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-(trifluoromethyl)piperidine-1-carboxamide
CID 71882352
N-cyclooctyl-N'-(2-cyclopropyl-1,3-benzothiazol-6-yl)oxamide
CID 71882814
(3S)-3-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)pyrrolidine-1-carboxamide
CID 111431157
N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,3-thiazolidine-4-carboxamide
CID 119306490
N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1-methylpyrazole-4-carboxamide
CID 51099308
4-(1,3-benzothiazol-2-yl)-N-(3-methyl-4-nitrophenyl)piperidine-1-carboxamide
CID 112839749
3-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)propanamide;hydrochloride
CID 119306495
4-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)butanamide
CID 119306517
4-(1,3-benzothiazol-2-yl)-N-(4-sulfamoylphenyl)piperidine-1-carboxamide
CID 27869090
3-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide
CID 110890733
2-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)acetamide
CID 120667928
N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 95284997

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-4-(3,3-dimethylazetidin-2-yl)piperidine-1-carboxamide?
The IUPAC name of N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-4-(3,3-dimethylazetidin-2-yl)piperidine-1-carboxamide (CID 128749827) is N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-4-(3,3-dimethylazetidin-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-4-(3,3-dimethylazetidin-2-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-4-(3,3-dimethylazetidin-2-yl)piperidine-1-carboxamide is CC1(C)CNC1C1CCN(C(=O)Nc2ccc3nc(C4CC4)sc3c2)CC1.
What is the InChIKey of N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-4-(3,3-dimethylazetidin-2-yl)piperidine-1-carboxamide?
The InChIKey is LAQPGHWAXBNNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4OS/c1-21(2)12-22-18(21)13-7-9-25(10-8-13)20(26)23-15-5-6-16-17(11-15)27-19(24-16)14-3-4-14/h5-6,11,13-14,18,22H,3-4,7-10,12H2,1-2H3,(H,23,26).
What are the key properties of N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-4-(3,3-dimethylazetidin-2-yl)piperidine-1-carboxamide?
N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-4-(3,3-dimethylazetidin-2-yl)piperidine-1-carboxamide has a molecular weight of 384.55 g/mol, XLogP of 4.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-4-(3,3-dimethylazetidin-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 128749827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).