2-cyclopentyl-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole

C13H20N2S — CID 116885085

IUPAC2-cyclopentyl-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole
SMILESCc1nc(C2CCCC2)sc1C1CCNC1
InChIInChI=1S/C13H20N2S/c1-9-12(11-6-7-14-8-11)16-13(15-9)10-4-2-3-5-10/h10-11,14H,2-8H2,1H3
InChIKeyMNLRVKRABLYABT-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.19
Rot. Bonds2

About 2-cyclopentyl-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole

2-cyclopentyl-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole (PubChem CID 116885085) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 2-cyclopentyl-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name2-cyclopentyl-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole
PubChem CID116885085
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name2-cyclopentyl-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole
SMILESCc1nc(C2CCCC2)sc1C1CCNC1
InChIInChI=1S/C13H20N2S/c1-9-12(11-6-7-14-8-11)16-13(15-9)10-4-2-3-5-10/h10-11,14H,2-8H2,1H3
InChIKeyMNLRVKRABLYABT-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

Analyze 2-cyclopentyl-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclobutyl-4-methyl-5-piperidin-3-yl-1,3-thiazole
CID 116885135
2-cyclohexyl-4-methyl-5-piperidin-4-yl-1,3-thiazole
CID 116885152
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
2-cyclohexyl-4-methyl-5-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116885195
2-cyclohexyl-5-pyrrolidin-3-yl-1,3,4-thiadiazole
CID 115042250
5-(fluoromethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-thiazole
CID 84775884
5-(1,1-difluoroethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-thiazole
CID 84795505
4-methyl-2-pyrrolidin-3-yl-1,3-thiazole-5-carboxylic acid
CID 121199781
2-cyclopentyl-N,4-dimethyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
CID 119554200
2-(azetidin-3-yl)-5-methyl-4-pyrrolidin-3-yl-1,3-thiazole
CID 115034156
2-cyclopentyl-4-methyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119428648

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole?
The IUPAC name of 2-cyclopentyl-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole (CID 116885085) is 2-cyclopentyl-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole.
What is the SMILES notation for 2-cyclopentyl-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole?
The canonical SMILES for 2-cyclopentyl-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole is Cc1nc(C2CCCC2)sc1C1CCNC1.
What is the InChIKey of 2-cyclopentyl-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole?
The InChIKey is MNLRVKRABLYABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-9-12(11-6-7-14-8-11)16-13(15-9)10-4-2-3-5-10/h10-11,14H,2-8H2,1H3.
What are the key properties of 2-cyclopentyl-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole?
2-cyclopentyl-4-methyl-5-pyrrolidin-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-cyclopentyl-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole is sourced from PubChem (CID 116885085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).