1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]urea

C15H20N4O2S — CID 96521522

IUPAC1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]urea
SMILESO=C(NCc1csc(C2CC2)n1)N[C@H]1CC(=O)N(C2CC2)C1
InChIInChI=1S/C15H20N4O2S/c20-13-5-10(7-19(13)12-3-4-12)18-15(21)16-6-11-8-22-14(17-11)9-1-2-9/h8-10,12H,1-7H2,(H2,16,18,21)/t10-/m0/s1
InChIKeyIVTJALDBLJPHNZ-JTQLQIEISA-N
MW320.42 g/mol
LogP1.58
Rot. Bonds5

About 1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]urea

1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]urea (PubChem CID 96521522) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]urea
PubChem CID96521522
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]urea
SMILESO=C(NCc1csc(C2CC2)n1)N[C@H]1CC(=O)N(C2CC2)C1
InChIInChI=1S/C15H20N4O2S/c20-13-5-10(7-19(13)12-3-4-12)18-15(21)16-6-11-8-22-14(17-11)9-1-2-9/h8-10,12H,1-7H2,(H2,16,18,21)/t10-/m0/s1
InChIKeyIVTJALDBLJPHNZ-JTQLQIEISA-N
XLogP1.58
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]urea?
The IUPAC name of 1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]urea (CID 96521522) is 1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]urea.
What is the SMILES notation for 1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]urea?
The canonical SMILES for 1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]urea is O=C(NCc1csc(C2CC2)n1)N[C@H]1CC(=O)N(C2CC2)C1.
What is the InChIKey of 1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]urea?
The InChIKey is IVTJALDBLJPHNZ-JTQLQIEISA-N. The full InChI is InChI=1S/C15H20N4O2S/c20-13-5-10(7-19(13)12-3-4-12)18-15(21)16-6-11-8-22-14(17-11)9-1-2-9/h8-10,12H,1-7H2,(H2,16,18,21)/t10-/m0/s1.
What are the key properties of 1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]urea?
1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]urea has a molecular weight of 320.42 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]urea is sourced from PubChem (CID 96521522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).