1-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)-1-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]urea

C16H24N4O2S — CID 128965364

IUPAC1-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)-1-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]urea
SMILESCc1nc2c(s1)CCCC2CN(C)C(=O)NC1CCN(C)C1=O
InChIInChI=1S/C16H24N4O2S/c1-10-17-14-11(5-4-6-13(14)23-10)9-20(3)16(22)18-12-7-8-19(2)15(12)21/h11-12H,4-9H2,1-3H3,(H,18,22)
InChIKeyJIPBSFFYQDUOBO-UHFFFAOYSA-N
MW336.46 g/mol
LogP1.74
Rot. Bonds3

About 1-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)-1-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]urea

1-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)-1-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]urea (PubChem CID 128965364) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is 1-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)-1-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)-1-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]urea
PubChem CID128965364
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC Name1-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)-1-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]urea
SMILESCc1nc2c(s1)CCCC2CN(C)C(=O)NC1CCN(C)C1=O
InChIInChI=1S/C16H24N4O2S/c1-10-17-14-11(5-4-6-13(14)23-10)9-20(3)16(22)18-12-7-8-19(2)15(12)21/h11-12H,4-9H2,1-3H3,(H,18,22)
InChIKeyJIPBSFFYQDUOBO-UHFFFAOYSA-N
XLogP1.74
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)-1-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)-1-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]urea?
The IUPAC name of 1-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)-1-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]urea (CID 128965364) is 1-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)-1-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]urea.
What is the SMILES notation for 1-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)-1-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]urea?
The canonical SMILES for 1-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)-1-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]urea is Cc1nc2c(s1)CCCC2CN(C)C(=O)NC1CCN(C)C1=O.
What is the InChIKey of 1-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)-1-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]urea?
The InChIKey is JIPBSFFYQDUOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-10-17-14-11(5-4-6-13(14)23-10)9-20(3)16(22)18-12-7-8-19(2)15(12)21/h11-12H,4-9H2,1-3H3,(H,18,22).
What are the key properties of 1-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)-1-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]urea?
1-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)-1-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]urea has a molecular weight of 336.46 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)-1-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]urea is sourced from PubChem (CID 128965364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).