2-cyclobutyl-4-methyl-5-(piperidin-3-ylmethyl)-1,3-thiazole

C14H22N2S — CID 116885219

IUPAC2-cyclobutyl-4-methyl-5-(piperidin-3-ylmethyl)-1,3-thiazole
SMILESCc1nc(C2CCC2)sc1CC1CCCNC1
InChIInChI=1S/C14H22N2S/c1-10-13(8-11-4-3-7-15-9-11)17-14(16-10)12-5-2-6-12/h11-12,15H,2-9H2,1H3
InChIKeySFNBUSAWWMSJJY-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.26
Rot. Bonds3

About 2-cyclobutyl-4-methyl-5-(piperidin-3-ylmethyl)-1,3-thiazole

2-cyclobutyl-4-methyl-5-(piperidin-3-ylmethyl)-1,3-thiazole (PubChem CID 116885219) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 2-cyclobutyl-4-methyl-5-(piperidin-3-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-cyclobutyl-4-methyl-5-(piperidin-3-ylmethyl)-1,3-thiazole
PubChem CID116885219
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name2-cyclobutyl-4-methyl-5-(piperidin-3-ylmethyl)-1,3-thiazole
SMILESCc1nc(C2CCC2)sc1CC1CCCNC1
InChIInChI=1S/C14H22N2S/c1-10-13(8-11-4-3-7-15-9-11)17-14(16-10)12-5-2-6-12/h11-12,15H,2-9H2,1H3
InChIKeySFNBUSAWWMSJJY-UHFFFAOYSA-N
XLogP3.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-4-methyl-5-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116885195
2-cyclobutyl-4-methyl-5-piperidin-3-yl-1,3-thiazole
CID 116885135
2-[(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)methyl]morpholine
CID 116886580
5-(fluoromethyl)-4-methyl-2-(piperidin-3-ylmethyl)-1,3-thiazole
CID 84792288
2-ethyl-4-methyl-5-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116885178
2-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine
CID 116884572
4,5,6-trimethyl-2-(piperidin-3-ylmethyl)pyrimidine
CID 105474903
5-(fluoromethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-thiazole
CID 84775884
2-cyclopentyl-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole
CID 116885085
(2-cycloheptyl-4-methyl-1,3-thiazol-5-yl)methanamine
CID 65400000
2-cyclohexyl-4-methyl-5-piperidin-4-yl-1,3-thiazole
CID 116885152
4,7-dimethyl-2-(piperidin-3-ylmethyl)-1,3-benzothiazole
CID 84638390

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-4-methyl-5-(piperidin-3-ylmethyl)-1,3-thiazole?
The IUPAC name of 2-cyclobutyl-4-methyl-5-(piperidin-3-ylmethyl)-1,3-thiazole (CID 116885219) is 2-cyclobutyl-4-methyl-5-(piperidin-3-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 2-cyclobutyl-4-methyl-5-(piperidin-3-ylmethyl)-1,3-thiazole?
The canonical SMILES for 2-cyclobutyl-4-methyl-5-(piperidin-3-ylmethyl)-1,3-thiazole is Cc1nc(C2CCC2)sc1CC1CCCNC1.
What is the InChIKey of 2-cyclobutyl-4-methyl-5-(piperidin-3-ylmethyl)-1,3-thiazole?
The InChIKey is SFNBUSAWWMSJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-10-13(8-11-4-3-7-15-9-11)17-14(16-10)12-5-2-6-12/h11-12,15H,2-9H2,1H3.
What are the key properties of 2-cyclobutyl-4-methyl-5-(piperidin-3-ylmethyl)-1,3-thiazole?
2-cyclobutyl-4-methyl-5-(piperidin-3-ylmethyl)-1,3-thiazole has a molecular weight of 250.41 g/mol, XLogP of 3.26, 3 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-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 116885219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).