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

C15H24N2S — CID 116829047

IUPAC4-cyclohexyl-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
SMILESCc1sc(CC2CCCN2)nc1C1CCCCC1
InChIInChI=1S/C15H24N2S/c1-11-15(12-6-3-2-4-7-12)17-14(18-11)10-13-8-5-9-16-13/h12-13,16H,2-10H2,1H3
InChIKeyJSTINCQONQOBNI-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.79
Rot. Bonds3

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

4-cyclohexyl-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole (PubChem CID 116829047) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 4-cyclohexyl-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-cyclohexyl-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
PubChem CID116829047
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name4-cyclohexyl-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
SMILESCc1sc(CC2CCCN2)nc1C1CCCCC1
InChIInChI=1S/C15H24N2S/c1-11-15(12-6-3-2-4-7-12)17-14(18-11)10-13-8-5-9-16-13/h12-13,16H,2-10H2,1H3
InChIKeyJSTINCQONQOBNI-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 62542496
(4-cyclohexyl-5-methyl-1,3-thiazol-2-yl)methanamine
CID 105464505
4-cyclobutyl-5-methyl-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116829036
4-cyclopentyl-5-methyl-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 105493657
4-(2-bromophenyl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 116829049
4-(furan-2-yl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 62632691
5-(1,1-difluoroethyl)-4-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 84803169
5-methyl-4-pyridin-3-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 116829043
2-ethyl-5-methyl-4-pyrrolidin-2-yl-1,3-thiazole
CID 115020841
4-bromo-5-ethyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 83694099
2-[(4-cyclobutyl-5-methyl-1H-imidazol-2-yl)methyl]piperidine
CID 105493650
2-ethyl-5-methyl-4-piperidin-2-yl-1,3-thiazole
CID 115027143

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole?
The IUPAC name of 4-cyclohexyl-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole (CID 116829047) is 4-cyclohexyl-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-cyclohexyl-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole?
The canonical SMILES for 4-cyclohexyl-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole is Cc1sc(CC2CCCN2)nc1C1CCCCC1.
What is the InChIKey of 4-cyclohexyl-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole?
The InChIKey is JSTINCQONQOBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-11-15(12-6-3-2-4-7-12)17-14(18-11)10-13-8-5-9-16-13/h12-13,16H,2-10H2,1H3.
What are the key properties of 4-cyclohexyl-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole?
4-cyclohexyl-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole has a molecular weight of 264.44 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 116829047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).