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

C18H24N4OS — CID 71865021

IUPAC1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(1-phenylpyrrolidin-3-yl)urea
SMILESCCc1cnc(CN(C)C(=O)NC2CCN(c3ccccc3)C2)s1
InChIInChI=1S/C18H24N4OS/c1-3-16-11-19-17(24-16)13-21(2)18(23)20-14-9-10-22(12-14)15-7-5-4-6-8-15/h4-8,11,14H,3,9-10,12-13H2,1-2H3,(H,20,23)
InChIKeyGGXSJKGZHPQJCA-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.13
Rot. Bonds5

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

1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(1-phenylpyrrolidin-3-yl)urea (PubChem CID 71865021) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(1-phenylpyrrolidin-3-yl)urea.

Molecular Properties

Compound Name1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(1-phenylpyrrolidin-3-yl)urea
PubChem CID71865021
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(1-phenylpyrrolidin-3-yl)urea
SMILESCCc1cnc(CN(C)C(=O)NC2CCN(c3ccccc3)C2)s1
InChIInChI=1S/C18H24N4OS/c1-3-16-11-19-17(24-16)13-21(2)18(23)20-14-9-10-22(12-14)15-7-5-4-6-8-15/h4-8,11,14H,3,9-10,12-13H2,1-2H3,(H,20,23)
InChIKeyGGXSJKGZHPQJCA-UHFFFAOYSA-N
XLogP3.13
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.13
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-phenylpyrrolidin-3-yl)urea?
The IUPAC name of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(1-phenylpyrrolidin-3-yl)urea (CID 71865021) is 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(1-phenylpyrrolidin-3-yl)urea.
What is the SMILES notation for 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(1-phenylpyrrolidin-3-yl)urea?
The canonical SMILES for 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(1-phenylpyrrolidin-3-yl)urea is CCc1cnc(CN(C)C(=O)NC2CCN(c3ccccc3)C2)s1.
What is the InChIKey of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(1-phenylpyrrolidin-3-yl)urea?
The InChIKey is GGXSJKGZHPQJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-3-16-11-19-17(24-16)13-21(2)18(23)20-14-9-10-22(12-14)15-7-5-4-6-8-15/h4-8,11,14H,3,9-10,12-13H2,1-2H3,(H,20,23).
What are the key properties of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(1-phenylpyrrolidin-3-yl)urea?
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(1-phenylpyrrolidin-3-yl)urea has a molecular weight of 344.48 g/mol, XLogP of 3.13, 5 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-phenylpyrrolidin-3-yl)urea is sourced from PubChem (CID 71865021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).