4-cyclobutyl-2-(piperidin-3-ylmethyl)-1,3-thiazole

C13H20N2S — CID 115041796

IUPAC4-cyclobutyl-2-(piperidin-3-ylmethyl)-1,3-thiazole
SMILESc1sc(CC2CCCNC2)nc1C1CCC1
InChIInChI=1S/C13H20N2S/c1-4-11(5-1)12-9-16-13(15-12)7-10-3-2-6-14-8-10/h9-11,14H,1-8H2
InChIKeySBVYYPBZPYGHDK-UHFFFAOYSA-N
MW236.38 g/mol
LogP2.95
Rot. Bonds3

About 4-cyclobutyl-2-(piperidin-3-ylmethyl)-1,3-thiazole

4-cyclobutyl-2-(piperidin-3-ylmethyl)-1,3-thiazole (PubChem CID 115041796) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 4-cyclobutyl-2-(piperidin-3-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-cyclobutyl-2-(piperidin-3-ylmethyl)-1,3-thiazole
PubChem CID115041796
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name4-cyclobutyl-2-(piperidin-3-ylmethyl)-1,3-thiazole
SMILESc1sc(CC2CCCNC2)nc1C1CCC1
InChIInChI=1S/C13H20N2S/c1-4-11(5-1)12-9-16-13(15-12)7-10-3-2-6-14-8-10/h9-11,14H,1-8H2
InChIKeySBVYYPBZPYGHDK-UHFFFAOYSA-N
XLogP2.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-3-ylmethyl)-4-piperidin-3-yl-1,3-thiazole
CID 115042270
2-(azetidin-3-ylmethyl)-4-cyclopropyl-1,3-thiazole
CID 105448612
2-(azetidin-3-ylmethyl)-4-piperidin-4-yl-1,3-thiazole
CID 115042296
4-(oxan-4-yl)-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116828990
2-(azetidin-3-ylmethyl)-4-pyrrolidin-3-yl-1,3-thiazole
CID 115034159
2-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxylic acid
CID 115089037
1-[2-(piperidin-3-ylmethyl)-1,3-thiazol-4-yl]ethanol
CID 115088902
3-(4-piperidin-3-yl-1,3-thiazol-2-yl)propan-1-amine
CID 115035204
4-pyrrolidin-3-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 115042290
4-(oxan-4-yl)-2-(piperidin-4-ylmethyl)-1,3-thiazole
CID 116828968
2-(cyclopropylmethyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853410
2-(cyclopropylmethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853446

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-2-(piperidin-3-ylmethyl)-1,3-thiazole?
The IUPAC name of 4-cyclobutyl-2-(piperidin-3-ylmethyl)-1,3-thiazole (CID 115041796) is 4-cyclobutyl-2-(piperidin-3-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-cyclobutyl-2-(piperidin-3-ylmethyl)-1,3-thiazole?
The canonical SMILES for 4-cyclobutyl-2-(piperidin-3-ylmethyl)-1,3-thiazole is c1sc(CC2CCCNC2)nc1C1CCC1.
What is the InChIKey of 4-cyclobutyl-2-(piperidin-3-ylmethyl)-1,3-thiazole?
The InChIKey is SBVYYPBZPYGHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-4-11(5-1)12-9-16-13(15-12)7-10-3-2-6-14-8-10/h9-11,14H,1-8H2.
What are the key properties of 4-cyclobutyl-2-(piperidin-3-ylmethyl)-1,3-thiazole?
4-cyclobutyl-2-(piperidin-3-ylmethyl)-1,3-thiazole has a molecular weight of 236.38 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-2-(piperidin-3-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 115041796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).