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

C15H24N2S — CID 116885195

IUPAC2-cyclohexyl-4-methyl-5-(pyrrolidin-3-ylmethyl)-1,3-thiazole
SMILESCc1nc(C2CCCCC2)sc1CC1CCNC1
InChIInChI=1S/C15H24N2S/c1-11-14(9-12-7-8-16-10-12)18-15(17-11)13-5-3-2-4-6-13/h12-13,16H,2-10H2,1H3
InChIKeyBXRHBKMUZPXWAE-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.65
Rot. Bonds3

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

2-cyclohexyl-4-methyl-5-(pyrrolidin-3-ylmethyl)-1,3-thiazole (PubChem CID 116885195) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 2-cyclohexyl-4-methyl-5-(pyrrolidin-3-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-cyclohexyl-4-methyl-5-(pyrrolidin-3-ylmethyl)-1,3-thiazole
PubChem CID116885195
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name2-cyclohexyl-4-methyl-5-(pyrrolidin-3-ylmethyl)-1,3-thiazole
SMILESCc1nc(C2CCCCC2)sc1CC1CCNC1
InChIInChI=1S/C15H24N2S/c1-11-14(9-12-7-8-16-10-12)18-15(17-11)13-5-3-2-4-6-13/h12-13,16H,2-10H2,1H3
InChIKeyBXRHBKMUZPXWAE-UHFFFAOYSA-N
XLogP3.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-[(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)methyl]morpholine
CID 116886580
2-cyclohexyl-4-methyl-5-piperidin-4-yl-1,3-thiazole
CID 116885152
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
5-(fluoromethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-thiazole
CID 84775884
N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 62403369
1-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)propan-2-one
CID 116886443
4-cyclobutyl-5-methyl-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116829036
2-cyclobutyl-4-methyl-5-piperidin-3-yl-1,3-thiazole
CID 116885135
2-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine
CID 116884572

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-methyl-5-(pyrrolidin-3-ylmethyl)-1,3-thiazole?
The IUPAC name of 2-cyclohexyl-4-methyl-5-(pyrrolidin-3-ylmethyl)-1,3-thiazole (CID 116885195) is 2-cyclohexyl-4-methyl-5-(pyrrolidin-3-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 2-cyclohexyl-4-methyl-5-(pyrrolidin-3-ylmethyl)-1,3-thiazole?
The canonical SMILES for 2-cyclohexyl-4-methyl-5-(pyrrolidin-3-ylmethyl)-1,3-thiazole is Cc1nc(C2CCCCC2)sc1CC1CCNC1.
What is the InChIKey of 2-cyclohexyl-4-methyl-5-(pyrrolidin-3-ylmethyl)-1,3-thiazole?
The InChIKey is BXRHBKMUZPXWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-11-14(9-12-7-8-16-10-12)18-15(17-11)13-5-3-2-4-6-13/h12-13,16H,2-10H2,1H3.
What are the key properties of 2-cyclohexyl-4-methyl-5-(pyrrolidin-3-ylmethyl)-1,3-thiazole?
2-cyclohexyl-4-methyl-5-(pyrrolidin-3-ylmethyl)-1,3-thiazole has a molecular weight of 264.44 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-methyl-5-(pyrrolidin-3-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 116885195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).