2-piperidin-1-yl-1,3-thiazole

C8H12N2S — CID 15110477

IUPAC2-piperidin-1-yl-1,3-thiazole
SMILESc1csc(N2CCCCC2)n1
InChIInChI=1S/C8H12N2S/c1-2-5-10(6-3-1)8-9-4-7-11-8/h4,7H,1-3,5-6H2
InChIKeyXSHHZEANTJNOHO-UHFFFAOYSA-N
MW168.27 g/mol
LogP2.13
Rot. Bonds1

About 2-piperidin-1-yl-1,3-thiazole

2-piperidin-1-yl-1,3-thiazole (PubChem CID 15110477) has the molecular formula C8H12N2S and a molecular weight of 168.27 g/mol. Its IUPAC name is 2-piperidin-1-yl-1,3-thiazole.

Molecular Properties

Compound Name2-piperidin-1-yl-1,3-thiazole
PubChem CID15110477
Molecular FormulaC8H12N2S
Molecular Weight168.27 g/mol
Exact Mass168.07
IUPAC Name2-piperidin-1-yl-1,3-thiazole
SMILESc1csc(N2CCCCC2)n1
InChIInChI=1S/C8H12N2S/c1-2-5-10(6-3-1)8-9-4-7-11-8/h4,7H,1-3,5-6H2
InChIKeyXSHHZEANTJNOHO-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

1-[2-(1-Piperidyl)ethyl]-3-thiazol-2-yl-thiourea
CID 3003035
1-(Thiazol-2-yl)piperazine
CID 911806
2-(Pyrrolidin-1-yl)thiazole
CID 2513533
Cyclohexyl-thiazol-2-yl-amine
CID 842041
1-(1,3-Thiazol-2-yl)piperidin-4-one
CID 18726960
1-(1,3-Thiazol-2-yl)piperazine--hydrogen chloride (1/1)
CID 23467106
N-(1,3-thiazol-2-yl)piperidin-4-amine
CID 43345808
1-(1,3-Thiazol-2-yl)piperidin-4-amine
CID 43430566
1-(5-Bromo-1,3-thiazol-2-yl)piperidine
CID 45787550
2-[8-(2,2,2-Trifluoroethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-1,3-thiazole
CID 134790741
N,N-diethyl-1,3-thiazol-2-amine
CID 2530298
[1-(1,3-Thiazol-2-yl)piperidin-3-yl]methanamine
CID 61797814

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-1,3-thiazole?
The IUPAC name of 2-piperidin-1-yl-1,3-thiazole (CID 15110477) is 2-piperidin-1-yl-1,3-thiazole.
What is the SMILES notation for 2-piperidin-1-yl-1,3-thiazole?
The canonical SMILES for 2-piperidin-1-yl-1,3-thiazole is c1csc(N2CCCCC2)n1.
What is the InChIKey of 2-piperidin-1-yl-1,3-thiazole?
The InChIKey is XSHHZEANTJNOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-2-5-10(6-3-1)8-9-4-7-11-8/h4,7H,1-3,5-6H2.
What are the key properties of 2-piperidin-1-yl-1,3-thiazole?
2-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 2-piperidin-1-yl-1,3-thiazole is sourced from PubChem (CID 15110477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).