2-cyclobutyl-4-methyl-5-piperidin-3-yl-1,3-thiazole

C13H20N2S — CID 116885135

IUPAC2-cyclobutyl-4-methyl-5-piperidin-3-yl-1,3-thiazole
SMILESCc1nc(C2CCC2)sc1C1CCCNC1
InChIInChI=1S/C13H20N2S/c1-9-12(11-6-3-7-14-8-11)16-13(15-9)10-4-2-5-10/h10-11,14H,2-8H2,1H3
InChIKeyBNDDREVTKYCRFU-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.19
Rot. Bonds2

About 2-cyclobutyl-4-methyl-5-piperidin-3-yl-1,3-thiazole

2-cyclobutyl-4-methyl-5-piperidin-3-yl-1,3-thiazole (PubChem CID 116885135) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 2-cyclobutyl-4-methyl-5-piperidin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name2-cyclobutyl-4-methyl-5-piperidin-3-yl-1,3-thiazole
PubChem CID116885135
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name2-cyclobutyl-4-methyl-5-piperidin-3-yl-1,3-thiazole
SMILESCc1nc(C2CCC2)sc1C1CCCNC1
InChIInChI=1S/C13H20N2S/c1-9-12(11-6-3-7-14-8-11)16-13(15-9)10-4-2-5-10/h10-11,14H,2-8H2,1H3
InChIKeyBNDDREVTKYCRFU-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole
CID 116885085
2-cyclohexyl-4-methyl-5-piperidin-4-yl-1,3-thiazole
CID 116885152
2-cyclobutyl-4-methyl-5-(piperidin-3-ylmethyl)-1,3-thiazole
CID 116885219
2-cyclopentyl-4-methyl-5-piperidin-2-yl-1,3-thiazole
CID 116885109
4-(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)cyclohexan-1-amine
CID 116885301
ethyl 4-methyl-2-[(3R)-piperidin-3-yl]-1,3-thiazole-5-carboxylate
CID 124513905
4-methyl-2-piperidin-3-yl-1,3-benzothiazole
CID 79147053
2-bromo-5-methyl-4-piperidin-3-yl-1,3-thiazole
CID 115048783
2-cyclopentyl-4-methyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119428648
2-cyclohexyl-4-methyl-5-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116885195
2-[(3S)-piperidin-3-yl]-1,3-benzothiazole
CID 2121164
4-methyl-2-[(3S)-piperidin-3-yl]-1,3-thiazole
CID 42078596

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-4-methyl-5-piperidin-3-yl-1,3-thiazole?
The IUPAC name of 2-cyclobutyl-4-methyl-5-piperidin-3-yl-1,3-thiazole (CID 116885135) is 2-cyclobutyl-4-methyl-5-piperidin-3-yl-1,3-thiazole.
What is the SMILES notation for 2-cyclobutyl-4-methyl-5-piperidin-3-yl-1,3-thiazole?
The canonical SMILES for 2-cyclobutyl-4-methyl-5-piperidin-3-yl-1,3-thiazole is Cc1nc(C2CCC2)sc1C1CCCNC1.
What is the InChIKey of 2-cyclobutyl-4-methyl-5-piperidin-3-yl-1,3-thiazole?
The InChIKey is BNDDREVTKYCRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-9-12(11-6-3-7-14-8-11)16-13(15-9)10-4-2-5-10/h10-11,14H,2-8H2,1H3.
What are the key properties of 2-cyclobutyl-4-methyl-5-piperidin-3-yl-1,3-thiazole?
2-cyclobutyl-4-methyl-5-piperidin-3-yl-1,3-thiazole has a molecular weight of 236.38 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-4-methyl-5-piperidin-3-yl-1,3-thiazole is sourced from PubChem (CID 116885135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).