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

C13H20N2S — CID 116829036

IUPAC4-cyclobutyl-5-methyl-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole
SMILESCc1sc(CC2CCNC2)nc1C1CCC1
InChIInChI=1S/C13H20N2S/c1-9-13(11-3-2-4-11)15-12(16-9)7-10-5-6-14-8-10/h10-11,14H,2-8H2,1H3
InChIKeyOVGQPVBVDHRNKX-UHFFFAOYSA-N
MW236.38 g/mol
LogP2.87
Rot. Bonds3

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

4-cyclobutyl-5-methyl-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole (PubChem CID 116829036) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 4-cyclobutyl-5-methyl-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-cyclobutyl-5-methyl-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole
PubChem CID116829036
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name4-cyclobutyl-5-methyl-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole
SMILESCc1sc(CC2CCNC2)nc1C1CCC1
InChIInChI=1S/C13H20N2S/c1-9-13(11-3-2-4-11)15-12(16-9)7-10-5-6-14-8-10/h10-11,14H,2-8H2,1H3
InChIKeyOVGQPVBVDHRNKX-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-3-ylmethyl)-5-methyl-4-pyrrolidin-3-yl-1,3-thiazole
CID 115042271
4-cyclohexyl-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 116829047
5-methyl-2-(pyrrolidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)-1,3-thiazole
CID 116829024
5,6-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,3-benzothiazole
CID 84632613
2-cyclohexyl-4-methyl-5-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116885195
(4-cyclohexyl-5-methyl-1,3-thiazol-2-yl)methanamine
CID 105464505
2-bromo-5-methyl-4-piperidin-3-yl-1,3-thiazole
CID 115048783
4-tert-butyl-5-methyl-2-(piperidin-4-ylmethyl)-1,3-thiazole
CID 116829012
5-(fluoromethyl)-4-methyl-2-(piperidin-3-ylmethyl)-1,3-thiazole
CID 84792288
2-cyclobutyl-4-methyl-5-(piperidin-3-ylmethyl)-1,3-thiazole
CID 116885219
2-ethyl-4-methyl-5-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116885178
4,7-dimethyl-2-(piperidin-3-ylmethyl)-1,3-benzothiazole
CID 84638390

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-5-methyl-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole?
The IUPAC name of 4-cyclobutyl-5-methyl-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole (CID 116829036) is 4-cyclobutyl-5-methyl-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-cyclobutyl-5-methyl-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole?
The canonical SMILES for 4-cyclobutyl-5-methyl-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole is Cc1sc(CC2CCNC2)nc1C1CCC1.
What is the InChIKey of 4-cyclobutyl-5-methyl-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole?
The InChIKey is OVGQPVBVDHRNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-9-13(11-3-2-4-11)15-12(16-9)7-10-5-6-14-8-10/h10-11,14H,2-8H2,1H3.
What are the key properties of 4-cyclobutyl-5-methyl-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole?
4-cyclobutyl-5-methyl-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole has a molecular weight of 236.38 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-5-methyl-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 116829036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).