1-(1-benzylpyrrolidin-3-yl)-3-(1,3-thiazol-2-yl)urea

C15H18N4OS — CID 51076181

IUPAC1-(1-benzylpyrrolidin-3-yl)-3-(1,3-thiazol-2-yl)urea
SMILESO=C(Nc1nccs1)NC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C15H18N4OS/c20-14(18-15-16-7-9-21-15)17-13-6-8-19(11-13)10-12-4-2-1-3-5-12/h1-5,7,9,13H,6,8,10-11H2,(H2,16,17,18,20)
InChIKeyGFVMEMUINVIIFK-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.54
Rot. Bonds4

About 1-(1-benzylpyrrolidin-3-yl)-3-(1,3-thiazol-2-yl)urea

1-(1-benzylpyrrolidin-3-yl)-3-(1,3-thiazol-2-yl)urea (PubChem CID 51076181) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-(1-benzylpyrrolidin-3-yl)-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(1-benzylpyrrolidin-3-yl)-3-(1,3-thiazol-2-yl)urea
PubChem CID51076181
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name1-(1-benzylpyrrolidin-3-yl)-3-(1,3-thiazol-2-yl)urea
SMILESO=C(Nc1nccs1)NC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C15H18N4OS/c20-14(18-15-16-7-9-21-15)17-13-6-8-19(11-13)10-12-4-2-1-3-5-12/h1-5,7,9,13H,6,8,10-11H2,(H2,16,17,18,20)
InChIKeyGFVMEMUINVIIFK-UHFFFAOYSA-N
XLogP2.54
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpyrrolidin-3-yl)-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(1-benzylpyrrolidin-3-yl)-3-(1,3-thiazol-2-yl)urea (CID 51076181) is 1-(1-benzylpyrrolidin-3-yl)-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(1-benzylpyrrolidin-3-yl)-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(1-benzylpyrrolidin-3-yl)-3-(1,3-thiazol-2-yl)urea is O=C(Nc1nccs1)NC1CCN(Cc2ccccc2)C1.
What is the InChIKey of 1-(1-benzylpyrrolidin-3-yl)-3-(1,3-thiazol-2-yl)urea?
The InChIKey is GFVMEMUINVIIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c20-14(18-15-16-7-9-21-15)17-13-6-8-19(11-13)10-12-4-2-1-3-5-12/h1-5,7,9,13H,6,8,10-11H2,(H2,16,17,18,20).
What are the key properties of 1-(1-benzylpyrrolidin-3-yl)-3-(1,3-thiazol-2-yl)urea?
1-(1-benzylpyrrolidin-3-yl)-3-(1,3-thiazol-2-yl)urea has a molecular weight of 302.40 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpyrrolidin-3-yl)-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 51076181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).