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

C17H20N4O2S — CID 16819747

IUPAC1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methyl-1,3-thiazol-2-yl)urea
SMILESCc1csc(NC(=O)NC2CC(=O)N(c3ccc(C)c(C)c3)C2)n1
InChIInChI=1S/C17H20N4O2S/c1-10-4-5-14(6-11(10)2)21-8-13(7-15(21)22)19-16(23)20-17-18-12(3)9-24-17/h4-6,9,13H,7-8H2,1-3H3,(H2,18,19,20,23)
InChIKeyQJVONQAEEDAVLJ-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.00
Rot. Bonds3

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

1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methyl-1,3-thiazol-2-yl)urea (PubChem CID 16819747) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methyl-1,3-thiazol-2-yl)urea
PubChem CID16819747
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methyl-1,3-thiazol-2-yl)urea
SMILESCc1csc(NC(=O)NC2CC(=O)N(c3ccc(C)c(C)c3)C2)n1
InChIInChI=1S/C17H20N4O2S/c1-10-4-5-14(6-11(10)2)21-8-13(7-15(21)22)19-16(23)20-17-18-12(3)9-24-17/h4-6,9,13H,7-8H2,1-3H3,(H2,18,19,20,23)
InChIKeyQJVONQAEEDAVLJ-UHFFFAOYSA-N
XLogP3.00
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 7243408
1-(3,4-dimethylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 6497645
ethyl 2-[2-[[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]-1,3-thiazol-4-yl]acetate
CID 7543705
1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(6-methyl-2-pyridinyl)urea
CID 43969641
1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(2,4,6-trimethylphenyl)urea
CID 7543680
1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea
CID 7543094
1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methoxyphenyl)urea
CID 18564184
1-(4-bromophenyl)-3-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7543479
1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 43969606
1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methylpropyl)urea
CID 7543097
1-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methylpropyl)urea
CID 7543099
1-(4-anilinophenyl)-3-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969649

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methyl-1,3-thiazol-2-yl)urea (CID 16819747) is 1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methyl-1,3-thiazol-2-yl)urea is Cc1csc(NC(=O)NC2CC(=O)N(c3ccc(C)c(C)c3)C2)n1.
What is the InChIKey of 1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methyl-1,3-thiazol-2-yl)urea?
The InChIKey is QJVONQAEEDAVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-10-4-5-14(6-11(10)2)21-8-13(7-15(21)22)19-16(23)20-17-18-12(3)9-24-17/h4-6,9,13H,7-8H2,1-3H3,(H2,18,19,20,23).
What are the key properties of 1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methyl-1,3-thiazol-2-yl)urea?
1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methyl-1,3-thiazol-2-yl)urea has a molecular weight of 344.44 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 16819747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).