5-piperidin-1-yl-1,3-thiazole

C8H12N2S — CID 18461130

IUPAC5-piperidin-1-yl-1,3-thiazole
SMILESc1ncc(N2CCCCC2)s1
InChIInChI=1S/C8H12N2S/c1-2-4-10(5-3-1)8-6-9-7-11-8/h6-7H,1-5H2
InChIKeyNFZWOJWQGOCUHR-UHFFFAOYSA-N
MW168.27 g/mol
LogP2.13
Rot. Bonds1

About 5-piperidin-1-yl-1,3-thiazole

5-piperidin-1-yl-1,3-thiazole (PubChem CID 18461130) has the molecular formula C8H12N2S and a molecular weight of 168.27 g/mol. Its IUPAC name is 5-piperidin-1-yl-1,3-thiazole.

Molecular Properties

Compound Name5-piperidin-1-yl-1,3-thiazole
PubChem CID18461130
Molecular FormulaC8H12N2S
Molecular Weight168.27 g/mol
Exact Mass168.07
IUPAC Name5-piperidin-1-yl-1,3-thiazole
SMILESc1ncc(N2CCCCC2)s1
InChIInChI=1S/C8H12N2S/c1-2-4-10(5-3-1)8-6-9-7-11-8/h6-7H,1-5H2
InChIKeyNFZWOJWQGOCUHR-UHFFFAOYSA-N
XLogP2.13
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.27
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-Piperidin-1-ylprop-1-ynyl)-1,3-thiazole
CID 20071653
2-Bromo-5-(N-methylpiperazin-1-yl)thiazole
CID 66520947
2-bromo-N,N-dipropyl-1,3-thiazol-5-amine
CID 102518252
5-(3-Fluoro-3-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole
CID 23571133
5-(4-Fluoro-4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole
CID 23571137
2-Methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole
CID 68186460
5-(4,4-Difluoropiperidin-1-yl)-2-methyl-1,3-thiazole;ethane
CID 142825973
5-(4,4-Difluoropiperidin-1-yl)-2-methyl-1,3-thiazole
CID 142825974
1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]piperidin-3-amine
CID 106784017
1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]piperidin-4-amine
CID 106784026
2-[(3-Fluoro-3-methylpiperidin-1-yl)methyl]-1,3-thiazole
CID 126790277
2-[[(3S)-3-fluoro-3-methylpiperidin-1-yl]methyl]-1,3-thiazole
CID 129488110

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-yl-1,3-thiazole?
The IUPAC name of 5-piperidin-1-yl-1,3-thiazole (CID 18461130) is 5-piperidin-1-yl-1,3-thiazole.
What is the SMILES notation for 5-piperidin-1-yl-1,3-thiazole?
The canonical SMILES for 5-piperidin-1-yl-1,3-thiazole is c1ncc(N2CCCCC2)s1.
What is the InChIKey of 5-piperidin-1-yl-1,3-thiazole?
The InChIKey is NFZWOJWQGOCUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-2-4-10(5-3-1)8-6-9-7-11-8/h6-7H,1-5H2.
What are the key properties of 5-piperidin-1-yl-1,3-thiazole?
5-piperidin-1-yl-1,3-thiazole has a molecular weight of 168.27 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-yl-1,3-thiazole is sourced from PubChem (CID 18461130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).