1-(1,3-benzothiazol-2-yl)-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea

C19H18N4O3S — CID 22583685

IUPAC1-(1,3-benzothiazol-2-yl)-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
SMILESCOc1ccc(N2CC(NC(=O)Nc3nc4ccccc4s3)CC2=O)cc1
InChIInChI=1S/C19H18N4O3S/c1-26-14-8-6-13(7-9-14)23-11-12(10-17(23)24)20-18(25)22-19-21-15-4-2-3-5-16(15)27-19/h2-9,12H,10-11H2,1H3,(H2,20,21,22,25)
InChIKeyOZOUDRWGMFPYOS-UHFFFAOYSA-N
MW382.45 g/mol
LogP3.23
Rot. Bonds4

About 1-(1,3-benzothiazol-2-yl)-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea

1-(1,3-benzothiazol-2-yl)-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea (PubChem CID 22583685) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
PubChem CID22583685
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC Name1-(1,3-benzothiazol-2-yl)-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
SMILESCOc1ccc(N2CC(NC(=O)Nc3nc4ccccc4s3)CC2=O)cc1
InChIInChI=1S/C19H18N4O3S/c1-26-14-8-6-13(7-9-14)23-11-12(10-17(23)24)20-18(25)22-19-21-15-4-2-3-5-16(15)27-19/h2-9,12H,10-11H2,1H3,(H2,20,21,22,25)
InChIKeyOZOUDRWGMFPYOS-UHFFFAOYSA-N
XLogP3.23
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(1,3-benzothiazol-2-yl)-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,3-benzothiazol-2-yl)-3-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7546531
1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methyl-1,3-benzothiazol-2-yl)urea
CID 7243402
1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969805
1-(4-methoxyphenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513465
(3S)-N-(1,3-benzothiazol-2-yl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 1088288
N-[4-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide
CID 7545434
1-(3,4-dichlorophenyl)-3-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7545335
1-(4-methoxyphenyl)-3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7513873
1-(2,4-dimethoxyphenyl)-3-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7244222
1-(4-bromophenyl)-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564279
1-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 7215355
(3R)-N-(1,3-benzothiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 1088299

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea (CID 22583685) is 1-(1,3-benzothiazol-2-yl)-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea is COc1ccc(N2CC(NC(=O)Nc3nc4ccccc4s3)CC2=O)cc1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea?
The InChIKey is OZOUDRWGMFPYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-26-14-8-6-13(7-9-14)23-11-12(10-17(23)24)20-18(25)22-19-21-15-4-2-3-5-16(15)27-19/h2-9,12H,10-11H2,1H3,(H2,20,21,22,25).
What are the key properties of 1-(1,3-benzothiazol-2-yl)-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea?
1-(1,3-benzothiazol-2-yl)-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea has a molecular weight of 382.45 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea is sourced from PubChem (CID 22583685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).