azocan-1-yl-(2-piperidin-3-yl-1,3-thiazol-4-yl)methanone

C16H25N3OS — CID 3678062

IUPACazocan-1-yl-(2-piperidin-3-yl-1,3-thiazol-4-yl)methanone
SMILESO=C(c1csc(C2CCCNC2)n1)N1CCCCCCC1
InChIInChI=1S/C16H25N3OS/c20-16(19-9-4-2-1-3-5-10-19)14-12-21-15(18-14)13-7-6-8-17-11-13/h12-13,17H,1-11H2
InChIKeyPNWPIXGFGPVPND-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.02
Rot. Bonds2

About azocan-1-yl-(2-piperidin-3-yl-1,3-thiazol-4-yl)methanone

azocan-1-yl-(2-piperidin-3-yl-1,3-thiazol-4-yl)methanone (PubChem CID 3678062) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is azocan-1-yl-(2-piperidin-3-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Nameazocan-1-yl-(2-piperidin-3-yl-1,3-thiazol-4-yl)methanone
PubChem CID3678062
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Nameazocan-1-yl-(2-piperidin-3-yl-1,3-thiazol-4-yl)methanone
SMILESO=C(c1csc(C2CCCNC2)n1)N1CCCCCCC1
InChIInChI=1S/C16H25N3OS/c20-16(19-9-4-2-1-3-5-10-19)14-12-21-15(18-14)13-7-6-8-17-11-13/h12-13,17H,1-11H2
InChIKeyPNWPIXGFGPVPND-UHFFFAOYSA-N
XLogP3.02
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]piperidine-1-carboxylic acid
CID 66887389
(3-methylpiperidin-1-yl)-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone
CID 3503776
2-piperidin-3-yl-1,3-thiazol-4-ol
CID 83684160
(3R)-1-(2-cyclopropyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid
CID 124576560
2,5-dihydropyrrol-1-yl-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone
CID 3687137
4-methyl-2-[(3S)-piperidin-3-yl]-1,3-thiazole
CID 42078596
(2-methylpiperidin-1-yl)-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone
CID 3875834
N-(2,3-dihydro-1H-inden-1-yl)-2-piperidin-3-yl-1,3-thiazole-4-carboxamide
CID 3715181
(2-amino-1,3-thiazol-4-yl)-(azepan-1-yl)methanone
CID 62793149
azepan-1-yl-[2-(cyclopropylamino)-1,3-thiazol-4-yl]methanone
CID 71702866
N-[(2,5-difluorophenyl)methyl]-2-piperidin-3-yl-1,3-thiazole-4-carboxamide
CID 3846497
N-(1H-indol-6-yl)-N-methyl-2-piperidin-3-yl-1,3-thiazole-4-carboxamide
CID 166299045

Frequently Asked Questions

What is the IUPAC name of azocan-1-yl-(2-piperidin-3-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of azocan-1-yl-(2-piperidin-3-yl-1,3-thiazol-4-yl)methanone (CID 3678062) is azocan-1-yl-(2-piperidin-3-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for azocan-1-yl-(2-piperidin-3-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for azocan-1-yl-(2-piperidin-3-yl-1,3-thiazol-4-yl)methanone is O=C(c1csc(C2CCCNC2)n1)N1CCCCCCC1.
What is the InChIKey of azocan-1-yl-(2-piperidin-3-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is PNWPIXGFGPVPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c20-16(19-9-4-2-1-3-5-10-19)14-12-21-15(18-14)13-7-6-8-17-11-13/h12-13,17H,1-11H2.
What are the key properties of azocan-1-yl-(2-piperidin-3-yl-1,3-thiazol-4-yl)methanone?
azocan-1-yl-(2-piperidin-3-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 307.46 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl-(2-piperidin-3-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 3678062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).