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

C12H20N4OS — CID 71994522

IUPAC1-ethyl-3-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]urea
SMILESCCNC(=O)NCCc1csc(N2CCCC2)n1
InChIInChI=1S/C12H20N4OS/c1-2-13-11(17)14-6-5-10-9-18-12(15-10)16-7-3-4-8-16/h9H,2-8H2,1H3,(H2,13,14,17)
InChIKeyPUOSMSSQMGSHNZ-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.60
Rot. Bonds5

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

1-ethyl-3-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]urea (PubChem CID 71994522) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 1-ethyl-3-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]urea
PubChem CID71994522
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name1-ethyl-3-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]urea
SMILESCCNC(=O)NCCc1csc(N2CCCC2)n1
InChIInChI=1S/C12H20N4OS/c1-2-13-11(17)14-6-5-10-9-18-12(15-10)16-7-3-4-8-16/h9H,2-8H2,1H3,(H2,13,14,17)
InChIKeyPUOSMSSQMGSHNZ-UHFFFAOYSA-N
XLogP1.60
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]urea?
The IUPAC name of 1-ethyl-3-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]urea (CID 71994522) is 1-ethyl-3-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-ethyl-3-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]urea?
The canonical SMILES for 1-ethyl-3-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]urea is CCNC(=O)NCCc1csc(N2CCCC2)n1.
What is the InChIKey of 1-ethyl-3-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]urea?
The InChIKey is PUOSMSSQMGSHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-2-13-11(17)14-6-5-10-9-18-12(15-10)16-7-3-4-8-16/h9H,2-8H2,1H3,(H2,13,14,17).
What are the key properties of 1-ethyl-3-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]urea?
1-ethyl-3-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]urea has a molecular weight of 268.39 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]urea is sourced from PubChem (CID 71994522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).