1-(azetidin-3-yl)-N-(4-chloro-6-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

C16H18ClFN4OS — CID 172581325

IUPAC1-(azetidin-3-yl)-N-(4-chloro-6-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1nc2c(Cl)cc(F)cc2s1)C1CCCN(C2CNC2)C1
InChIInChI=1S/C16H18ClFN4OS/c17-12-4-10(18)5-13-14(12)20-16(24-13)21-15(23)9-2-1-3-22(8-9)11-6-19-7-11/h4-5,9,11,19H,1-3,6-8H2,(H,20,21,23)
InChIKeyDPSVFBKRCRBNGO-UHFFFAOYSA-N
MW368.87 g/mol
LogP2.71
Rot. Bonds3

About 1-(azetidin-3-yl)-N-(4-chloro-6-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

1-(azetidin-3-yl)-N-(4-chloro-6-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide (PubChem CID 172581325) has the molecular formula C16H18ClFN4OS and a molecular weight of 368.87 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N-(4-chloro-6-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N-(4-chloro-6-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
PubChem CID172581325
Molecular FormulaC16H18ClFN4OS
Molecular Weight368.87 g/mol
Exact Mass368.09
IUPAC Name1-(azetidin-3-yl)-N-(4-chloro-6-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1nc2c(Cl)cc(F)cc2s1)C1CCCN(C2CNC2)C1
InChIInChI=1S/C16H18ClFN4OS/c17-12-4-10(18)5-13-14(12)20-16(24-13)21-15(23)9-2-1-3-22(8-9)11-6-19-7-11/h4-5,9,11,19H,1-3,6-8H2,(H,20,21,23)
InChIKeyDPSVFBKRCRBNGO-UHFFFAOYSA-N
XLogP2.71
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-acetylazetidin-3-yl)-N-(4-chloro-6-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 171529889
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-methylpiperidine-3-carboxamide
CID 162345703
methyl 2-[3-[3-[(4,6-difluoro-1,3-benzothiazol-2-yl)carbamoyl]piperidin-1-yl]pyrrolidin-1-yl]acetate
CID 171529837
3-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 177079734
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-[2-(3-fluoropyrrolidin-1-yl)ethyl]piperidine-3-carboxamide
CID 177079634
(3R)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide
CID 168899979
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-[2-(dimethylamino)ethyl]azocane-3-carboxamide
CID 171529930
N-(4-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide
CID 42732995
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-(2-phenylacetyl)pyrrolidine-3-carboxamide
CID 166871319
N-(6-fluoro-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 16828886
tert-butyl 3-[(4-chloro-1,3-benzothiazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 172581333
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 43989202

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N-(4-chloro-6-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(azetidin-3-yl)-N-(4-chloro-6-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide (CID 172581325) is 1-(azetidin-3-yl)-N-(4-chloro-6-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(azetidin-3-yl)-N-(4-chloro-6-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(azetidin-3-yl)-N-(4-chloro-6-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide is O=C(Nc1nc2c(Cl)cc(F)cc2s1)C1CCCN(C2CNC2)C1.
What is the InChIKey of 1-(azetidin-3-yl)-N-(4-chloro-6-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is DPSVFBKRCRBNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN4OS/c17-12-4-10(18)5-13-14(12)20-16(24-13)21-15(23)9-2-1-3-22(8-9)11-6-19-7-11/h4-5,9,11,19H,1-3,6-8H2,(H,20,21,23).
What are the key properties of 1-(azetidin-3-yl)-N-(4-chloro-6-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
1-(azetidin-3-yl)-N-(4-chloro-6-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 368.87 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-N-(4-chloro-6-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 172581325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).