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

C10H16N2S — CID 115020841

IUPAC2-ethyl-5-methyl-4-pyrrolidin-2-yl-1,3-thiazole
SMILESCCc1nc(C2CCCN2)c(C)s1
InChIInChI=1S/C10H16N2S/c1-3-9-12-10(7(2)13-9)8-5-4-6-11-8/h8,11H,3-6H2,1-2H3
InChIKeyUOVMNSNHQVMNSC-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.44
Rot. Bonds2

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

2-ethyl-5-methyl-4-pyrrolidin-2-yl-1,3-thiazole (PubChem CID 115020841) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 2-ethyl-5-methyl-4-pyrrolidin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-ethyl-5-methyl-4-pyrrolidin-2-yl-1,3-thiazole
PubChem CID115020841
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name2-ethyl-5-methyl-4-pyrrolidin-2-yl-1,3-thiazole
SMILESCCc1nc(C2CCCN2)c(C)s1
InChIInChI=1S/C10H16N2S/c1-3-9-12-10(7(2)13-9)8-5-4-6-11-8/h8,11H,3-6H2,1-2H3
InChIKeyUOVMNSNHQVMNSC-UHFFFAOYSA-N
XLogP2.44
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-5-methyl-4-piperidin-2-yl-1,3-thiazole
CID 115027143
2,5-dimethyl-4-piperidin-2-yl-1,3-thiazole
CID 82399301
2-(azetidin-3-yl)-5-methyl-4-piperidin-2-yl-1,3-thiazole
CID 115042260
2-(2-ethyl-5-methyl-1H-imidazol-4-yl)piperidine
CID 173025527
2-ethyl-6-pyrrolidin-2-yl-1,3-benzothiazole
CID 84696097
4-cyclohexyl-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 116829047
4-ethyl-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 62542496
5-bromo-4-methyl-2-piperidin-2-yl-1,3-thiazole
CID 83693618
4-(4-chlorophenyl)-5-methyl-2-pyrrolidin-2-yl-1,3-thiazole
CID 62542301
ethyl 4-ethyl-2-piperidin-2-yl-1,3-thiazole-5-carboxylate
CID 113459519
5-methyl-4-(4-methylphenyl)-2-piperidin-2-yl-1,3-thiazole
CID 55084812
2-propyl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853422

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-4-pyrrolidin-2-yl-1,3-thiazole?
The IUPAC name of 2-ethyl-5-methyl-4-pyrrolidin-2-yl-1,3-thiazole (CID 115020841) is 2-ethyl-5-methyl-4-pyrrolidin-2-yl-1,3-thiazole.
What is the SMILES notation for 2-ethyl-5-methyl-4-pyrrolidin-2-yl-1,3-thiazole?
The canonical SMILES for 2-ethyl-5-methyl-4-pyrrolidin-2-yl-1,3-thiazole is CCc1nc(C2CCCN2)c(C)s1.
What is the InChIKey of 2-ethyl-5-methyl-4-pyrrolidin-2-yl-1,3-thiazole?
The InChIKey is UOVMNSNHQVMNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-3-9-12-10(7(2)13-9)8-5-4-6-11-8/h8,11H,3-6H2,1-2H3.
What are the key properties of 2-ethyl-5-methyl-4-pyrrolidin-2-yl-1,3-thiazole?
2-ethyl-5-methyl-4-pyrrolidin-2-yl-1,3-thiazole has a molecular weight of 196.32 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-4-pyrrolidin-2-yl-1,3-thiazole is sourced from PubChem (CID 115020841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).