2-(2-ethyl-1,3-thiazol-4-yl)-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone

C16H25N3OS — CID 71936708

IUPAC2-(2-ethyl-1,3-thiazol-4-yl)-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone
SMILESCCc1nc(CC(=O)N2CCCC2CN2CCCC2)cs1
InChIInChI=1S/C16H25N3OS/c1-2-15-17-13(12-21-15)10-16(20)19-9-5-6-14(19)11-18-7-3-4-8-18/h12,14H,2-11H2,1H3
InChIKeyGLEGATIRLLXZQN-UHFFFAOYSA-N
MW307.46 g/mol
LogP2.33
Rot. Bonds5

About 2-(2-ethyl-1,3-thiazol-4-yl)-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone

2-(2-ethyl-1,3-thiazol-4-yl)-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone (PubChem CID 71936708) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 2-(2-ethyl-1,3-thiazol-4-yl)-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-ethyl-1,3-thiazol-4-yl)-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone
PubChem CID71936708
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name2-(2-ethyl-1,3-thiazol-4-yl)-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone
SMILESCCc1nc(CC(=O)N2CCCC2CN2CCCC2)cs1
InChIInChI=1S/C16H25N3OS/c1-2-15-17-13(12-21-15)10-16(20)19-9-5-6-14(19)11-18-7-3-4-8-18/h12,14H,2-11H2,1H3
InChIKeyGLEGATIRLLXZQN-UHFFFAOYSA-N
XLogP2.33
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-1,3-thiazol-4-yl)-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2-ethyl-1,3-thiazol-4-yl)-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone (CID 71936708) is 2-(2-ethyl-1,3-thiazol-4-yl)-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-ethyl-1,3-thiazol-4-yl)-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2-ethyl-1,3-thiazol-4-yl)-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone is CCc1nc(CC(=O)N2CCCC2CN2CCCC2)cs1.
What is the InChIKey of 2-(2-ethyl-1,3-thiazol-4-yl)-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is GLEGATIRLLXZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-2-15-17-13(12-21-15)10-16(20)19-9-5-6-14(19)11-18-7-3-4-8-18/h12,14H,2-11H2,1H3.
What are the key properties of 2-(2-ethyl-1,3-thiazol-4-yl)-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone?
2-(2-ethyl-1,3-thiazol-4-yl)-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 307.46 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-1,3-thiazol-4-yl)-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 71936708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).