5-cyclohexyl-2-pyrrolidin-3-yl-1,3-thiazole

C13H20N2S — CID 115041800

IUPAC5-cyclohexyl-2-pyrrolidin-3-yl-1,3-thiazole
SMILESc1nc(C2CCNC2)sc1C1CCCCC1
InChIInChI=1S/C13H20N2S/c1-2-4-10(5-3-1)12-9-15-13(16-12)11-6-7-14-8-11/h9-11,14H,1-8H2
InChIKeyKDLPEGSSJRGORE-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.27
Rot. Bonds2

About 5-cyclohexyl-2-pyrrolidin-3-yl-1,3-thiazole

5-cyclohexyl-2-pyrrolidin-3-yl-1,3-thiazole (PubChem CID 115041800) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 5-cyclohexyl-2-pyrrolidin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name5-cyclohexyl-2-pyrrolidin-3-yl-1,3-thiazole
PubChem CID115041800
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name5-cyclohexyl-2-pyrrolidin-3-yl-1,3-thiazole
SMILESc1nc(C2CCNC2)sc1C1CCCCC1
InChIInChI=1S/C13H20N2S/c1-2-4-10(5-3-1)12-9-15-13(16-12)11-6-7-14-8-11/h9-11,14H,1-8H2
InChIKeyKDLPEGSSJRGORE-UHFFFAOYSA-N
XLogP3.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-5-pyrrolidin-3-yl-1,3,4-thiadiazole
CID 115042250
2-pyrrolidin-3-yl-1,3-thiazole-5-carbaldehyde
CID 115089760
5-cyclobutyl-2-piperidin-2-yl-1,3-thiazole
CID 115033669
2-piperidin-3-yl-1,3-thiazole-5-carboxylic acid
CID 105466008
N-methyl-2-(2-pyrrolidin-3-yl-1,3-thiazol-5-yl)ethanamine
CID 115089840
5-cyclohexyl-2-pyrrolidin-3-yl-1,3-oxazole
CID 84685995
2-piperidin-4-yl-1,3-thiazol-5-amine
CID 172992650
2-cyclopentyl-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole
CID 116885085
5-pyrrolidin-3-ylpyrimidine
CID 66996535
5-[(3R)-piperidin-3-yl]-1,3-thiazole
CID 96632228
5-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazole
CID 118427022
2-(4-fluorophenyl)-5-piperidin-4-yl-1,3-thiazole
CID 118426930

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-2-pyrrolidin-3-yl-1,3-thiazole?
The IUPAC name of 5-cyclohexyl-2-pyrrolidin-3-yl-1,3-thiazole (CID 115041800) is 5-cyclohexyl-2-pyrrolidin-3-yl-1,3-thiazole.
What is the SMILES notation for 5-cyclohexyl-2-pyrrolidin-3-yl-1,3-thiazole?
The canonical SMILES for 5-cyclohexyl-2-pyrrolidin-3-yl-1,3-thiazole is c1nc(C2CCNC2)sc1C1CCCCC1.
What is the InChIKey of 5-cyclohexyl-2-pyrrolidin-3-yl-1,3-thiazole?
The InChIKey is KDLPEGSSJRGORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-2-4-10(5-3-1)12-9-15-13(16-12)11-6-7-14-8-11/h9-11,14H,1-8H2.
What are the key properties of 5-cyclohexyl-2-pyrrolidin-3-yl-1,3-thiazole?
5-cyclohexyl-2-pyrrolidin-3-yl-1,3-thiazole has a molecular weight of 236.38 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-2-pyrrolidin-3-yl-1,3-thiazole is sourced from PubChem (CID 115041800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).