1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)urea

C13H20N4O2S — CID 71981647

IUPAC1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)urea
SMILESCCc1cnc(CN(C)C(=O)NC2CCN(C)C2=O)s1
InChIInChI=1S/C13H20N4O2S/c1-4-9-7-14-11(20-9)8-17(3)13(19)15-10-5-6-16(2)12(10)18/h7,10H,4-6,8H2,1-3H3,(H,15,19)
InChIKeyOIFOTMBHNKSZEC-UHFFFAOYSA-N
MW296.40 g/mol
LogP1.08
Rot. Bonds4

About 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)urea

1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)urea (PubChem CID 71981647) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)urea.

Molecular Properties

Compound Name1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)urea
PubChem CID71981647
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Name1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)urea
SMILESCCc1cnc(CN(C)C(=O)NC2CCN(C)C2=O)s1
InChIInChI=1S/C13H20N4O2S/c1-4-9-7-14-11(20-9)8-17(3)13(19)15-10-5-6-16(2)12(10)18/h7,10H,4-6,8H2,1-3H3,(H,15,19)
InChIKeyOIFOTMBHNKSZEC-UHFFFAOYSA-N
XLogP1.08
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)urea?
The IUPAC name of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)urea (CID 71981647) is 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)urea.
What is the SMILES notation for 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)urea?
The canonical SMILES for 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)urea is CCc1cnc(CN(C)C(=O)NC2CCN(C)C2=O)s1.
What is the InChIKey of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)urea?
The InChIKey is OIFOTMBHNKSZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-4-9-7-14-11(20-9)8-17(3)13(19)15-10-5-6-16(2)12(10)18/h7,10H,4-6,8H2,1-3H3,(H,15,19).
What are the key properties of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)urea?
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)urea has a molecular weight of 296.40 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)urea is sourced from PubChem (CID 71981647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).