1-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(2-oxo-1-phenylpyrrolidin-3-yl)urea

C17H20N4O2S — CID 71868471

IUPAC1-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(2-oxo-1-phenylpyrrolidin-3-yl)urea
SMILESCc1ncc(CNC(=O)N(C)C2CCN(c3ccccc3)C2=O)s1
InChIInChI=1S/C17H20N4O2S/c1-12-18-10-14(24-12)11-19-17(23)20(2)15-8-9-21(16(15)22)13-6-4-3-5-7-13/h3-7,10,15H,8-9,11H2,1-2H3,(H,19,23)
InChIKeyQULDDAXGEYQJAM-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.40
Rot. Bonds4

About 1-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(2-oxo-1-phenylpyrrolidin-3-yl)urea

1-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(2-oxo-1-phenylpyrrolidin-3-yl)urea (PubChem CID 71868471) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 1-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(2-oxo-1-phenylpyrrolidin-3-yl)urea.

Molecular Properties

Compound Name1-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(2-oxo-1-phenylpyrrolidin-3-yl)urea
PubChem CID71868471
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name1-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(2-oxo-1-phenylpyrrolidin-3-yl)urea
SMILESCc1ncc(CNC(=O)N(C)C2CCN(c3ccccc3)C2=O)s1
InChIInChI=1S/C17H20N4O2S/c1-12-18-10-14(24-12)11-19-17(23)20(2)15-8-9-21(16(15)22)13-6-4-3-5-7-13/h3-7,10,15H,8-9,11H2,1-2H3,(H,19,23)
InChIKeyQULDDAXGEYQJAM-UHFFFAOYSA-N
XLogP2.40
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(2-oxo-1-phenylpyrrolidin-3-yl)urea?
The IUPAC name of 1-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(2-oxo-1-phenylpyrrolidin-3-yl)urea (CID 71868471) is 1-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(2-oxo-1-phenylpyrrolidin-3-yl)urea.
What is the SMILES notation for 1-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(2-oxo-1-phenylpyrrolidin-3-yl)urea?
The canonical SMILES for 1-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(2-oxo-1-phenylpyrrolidin-3-yl)urea is Cc1ncc(CNC(=O)N(C)C2CCN(c3ccccc3)C2=O)s1.
What is the InChIKey of 1-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(2-oxo-1-phenylpyrrolidin-3-yl)urea?
The InChIKey is QULDDAXGEYQJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-12-18-10-14(24-12)11-19-17(23)20(2)15-8-9-21(16(15)22)13-6-4-3-5-7-13/h3-7,10,15H,8-9,11H2,1-2H3,(H,19,23).
What are the key properties of 1-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(2-oxo-1-phenylpyrrolidin-3-yl)urea?
1-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(2-oxo-1-phenylpyrrolidin-3-yl)urea has a molecular weight of 344.44 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(2-oxo-1-phenylpyrrolidin-3-yl)urea is sourced from PubChem (CID 71868471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).