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

C11H16N4O3S — CID 167847120

IUPAC1-(5-methoxy-1,3-thiazol-2-yl)-3-[2-(5-oxopyrrolidin-3-yl)ethyl]urea
SMILESCOc1cnc(NC(=O)NCCC2CNC(=O)C2)s1
InChIInChI=1S/C11H16N4O3S/c1-18-9-6-14-11(19-9)15-10(17)12-3-2-7-4-8(16)13-5-7/h6-7H,2-5H2,1H3,(H,13,16)(H2,12,14,15,17)
InChIKeyRDUZOXQGOFYBNP-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.80
Rot. Bonds5

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

1-(5-methoxy-1,3-thiazol-2-yl)-3-[2-(5-oxopyrrolidin-3-yl)ethyl]urea (PubChem CID 167847120) has the molecular formula C11H16N4O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is 1-(5-methoxy-1,3-thiazol-2-yl)-3-[2-(5-oxopyrrolidin-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-(5-methoxy-1,3-thiazol-2-yl)-3-[2-(5-oxopyrrolidin-3-yl)ethyl]urea
PubChem CID167847120
Molecular FormulaC11H16N4O3S
Molecular Weight284.34 g/mol
Exact Mass284.09
IUPAC Name1-(5-methoxy-1,3-thiazol-2-yl)-3-[2-(5-oxopyrrolidin-3-yl)ethyl]urea
SMILESCOc1cnc(NC(=O)NCCC2CNC(=O)C2)s1
InChIInChI=1S/C11H16N4O3S/c1-18-9-6-14-11(19-9)15-10(17)12-3-2-7-4-8(16)13-5-7/h6-7H,2-5H2,1H3,(H,13,16)(H2,12,14,15,17)
InChIKeyRDUZOXQGOFYBNP-UHFFFAOYSA-N
XLogP0.80
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-1,3-thiazol-2-yl)-3-[2-(5-oxopyrrolidin-3-yl)ethyl]urea?
The IUPAC name of 1-(5-methoxy-1,3-thiazol-2-yl)-3-[2-(5-oxopyrrolidin-3-yl)ethyl]urea (CID 167847120) is 1-(5-methoxy-1,3-thiazol-2-yl)-3-[2-(5-oxopyrrolidin-3-yl)ethyl]urea.
What is the SMILES notation for 1-(5-methoxy-1,3-thiazol-2-yl)-3-[2-(5-oxopyrrolidin-3-yl)ethyl]urea?
The canonical SMILES for 1-(5-methoxy-1,3-thiazol-2-yl)-3-[2-(5-oxopyrrolidin-3-yl)ethyl]urea is COc1cnc(NC(=O)NCCC2CNC(=O)C2)s1.
What is the InChIKey of 1-(5-methoxy-1,3-thiazol-2-yl)-3-[2-(5-oxopyrrolidin-3-yl)ethyl]urea?
The InChIKey is RDUZOXQGOFYBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3S/c1-18-9-6-14-11(19-9)15-10(17)12-3-2-7-4-8(16)13-5-7/h6-7H,2-5H2,1H3,(H,13,16)(H2,12,14,15,17).
What are the key properties of 1-(5-methoxy-1,3-thiazol-2-yl)-3-[2-(5-oxopyrrolidin-3-yl)ethyl]urea?
1-(5-methoxy-1,3-thiazol-2-yl)-3-[2-(5-oxopyrrolidin-3-yl)ethyl]urea has a molecular weight of 284.34 g/mol, XLogP of 0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-1,3-thiazol-2-yl)-3-[2-(5-oxopyrrolidin-3-yl)ethyl]urea is sourced from PubChem (CID 167847120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).