4-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazole

C10H15ClN2S — CID 83220770

IUPAC4-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazole
SMILESCCC1CCC(C)N1c1nc(Cl)cs1
InChIInChI=1S/C10H15ClN2S/c1-3-8-5-4-7(2)13(8)10-12-9(11)6-14-10/h6-8H,3-5H2,1-2H3
InChIKeyZJQDXUMRIWMTTR-UHFFFAOYSA-N
MW230.76 g/mol
LogP3.56
Rot. Bonds2

About 4-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazole

4-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazole (PubChem CID 83220770) has the molecular formula C10H15ClN2S and a molecular weight of 230.76 g/mol. Its IUPAC name is 4-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazole
PubChem CID83220770
Molecular FormulaC10H15ClN2S
Molecular Weight230.76 g/mol
Exact Mass230.06
IUPAC Name4-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazole
SMILESCCC1CCC(C)N1c1nc(Cl)cs1
InChIInChI=1S/C10H15ClN2S/c1-3-8-5-4-7(2)13(8)10-12-9(11)6-14-10/h6-8H,3-5H2,1-2H3
InChIKeyZJQDXUMRIWMTTR-UHFFFAOYSA-N
XLogP3.56
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.76
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylic acid
CID 83224673
4-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylpyrimidine
CID 83135757
4-(4-chloro-1,3-thiazol-2-yl)-3-ethylmorpholine
CID 83157051
4-chloro-2-(4-propylpiperidin-1-yl)-1,3-thiazole
CID 83155979
2-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-4-carbonitrile
CID 83220184
[4-ethyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 83221011
2-[(2R,5S)-2-ethyl-5-methylpyrrolidin-1-yl]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 167797542
[3-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)-2-pyridinyl]methanol
CID 83220671
3-(chloromethyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)-4,6-dimethylpyridine
CID 83220560
2-(2-ethyl-5-methylpyrrolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 83221733
4-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methylpyrimidine
CID 83219939
2-(2-ethyl-5-methylpyrrolidin-1-yl)-6-methylpyridin-3-amine
CID 83217895

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazole?
The IUPAC name of 4-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazole (CID 83220770) is 4-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazole?
The canonical SMILES for 4-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazole is CCC1CCC(C)N1c1nc(Cl)cs1.
What is the InChIKey of 4-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazole?
The InChIKey is ZJQDXUMRIWMTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2S/c1-3-8-5-4-7(2)13(8)10-12-9(11)6-14-10/h6-8H,3-5H2,1-2H3.
What are the key properties of 4-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazole?
4-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazole has a molecular weight of 230.76 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazole is sourced from PubChem (CID 83220770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).