1-[[(2R)-1-benzyl-2-methylpyrrolidin-2-yl]methyl]-3-(1,3-thiazol-2-ylmethyl)urea

C18H24N4OS — CID 99823025

IUPAC1-[[(2R)-1-benzyl-2-methylpyrrolidin-2-yl]methyl]-3-(1,3-thiazol-2-ylmethyl)urea
SMILESC[C@]1(CNC(=O)NCc2nccs2)CCCN1Cc1ccccc1
InChIInChI=1S/C18H24N4OS/c1-18(14-21-17(23)20-12-16-19-9-11-24-16)8-5-10-22(18)13-15-6-3-2-4-7-15/h2-4,6-7,9,11H,5,8,10,12-14H2,1H3,(H2,20,21,23)/t18-/m1/s1
InChIKeyWSXNPQCHIVMGEK-GOSISDBHSA-N
MW344.48 g/mol
LogP3.00
Rot. Bonds6

About 1-[[(2R)-1-benzyl-2-methylpyrrolidin-2-yl]methyl]-3-(1,3-thiazol-2-ylmethyl)urea

1-[[(2R)-1-benzyl-2-methylpyrrolidin-2-yl]methyl]-3-(1,3-thiazol-2-ylmethyl)urea (PubChem CID 99823025) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-[[(2R)-1-benzyl-2-methylpyrrolidin-2-yl]methyl]-3-(1,3-thiazol-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[[(2R)-1-benzyl-2-methylpyrrolidin-2-yl]methyl]-3-(1,3-thiazol-2-ylmethyl)urea
PubChem CID99823025
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name1-[[(2R)-1-benzyl-2-methylpyrrolidin-2-yl]methyl]-3-(1,3-thiazol-2-ylmethyl)urea
SMILESC[C@]1(CNC(=O)NCc2nccs2)CCCN1Cc1ccccc1
InChIInChI=1S/C18H24N4OS/c1-18(14-21-17(23)20-12-16-19-9-11-24-16)8-5-10-22(18)13-15-6-3-2-4-7-15/h2-4,6-7,9,11H,5,8,10,12-14H2,1H3,(H2,20,21,23)/t18-/m1/s1
InChIKeyWSXNPQCHIVMGEK-GOSISDBHSA-N
XLogP3.00
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[(2R)-1-benzyl-2-methylpyrrolidin-2-yl]methyl]-3-(1,3-thiazol-2-ylmethyl)urea with MolForge

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Related Compounds

1-[[(2S)-1-benzyl-2-methylpyrrolidin-2-yl]methyl]-3-methoxyurea
CID 99703649
N-[(1-benzyl-2-methylpyrrolidin-2-yl)methyl]-2-methylpyrazole-3-carboxamide
CID 136533373
1-[[(2R)-1-benzyl-2-methylpyrrolidin-2-yl]methyl]-3-(1-methylpyrazol-4-yl)urea
CID 99702276
1-[(1,3-thiazol-2-ylmethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
CID 115446587
3-benzyl-1-methyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide
CID 126840631
2-phenyl-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 110442320
N-[4-[(1-benzyl-2-methylpyrrolidin-2-yl)methylamino]cyclohexyl]acetamide
CID 119034343
4-[(2-benzyl-2-methylpyrrolidin-1-yl)methyl]benzoic acid
CID 122032957
(3aS,6aR)-2-[(1-benzyl-2-methylpyrrolidin-2-yl)methylcarbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122010859
[(2R)-1-benzyl-2-methylpiperidin-2-yl]methanol
CID 97184583
1-benzyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea
CID 49470436
1-methyl-3-(1,3-thiazol-2-ylmethyl)urea
CID 23548411

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-1-benzyl-2-methylpyrrolidin-2-yl]methyl]-3-(1,3-thiazol-2-ylmethyl)urea?
The IUPAC name of 1-[[(2R)-1-benzyl-2-methylpyrrolidin-2-yl]methyl]-3-(1,3-thiazol-2-ylmethyl)urea (CID 99823025) is 1-[[(2R)-1-benzyl-2-methylpyrrolidin-2-yl]methyl]-3-(1,3-thiazol-2-ylmethyl)urea.
What is the SMILES notation for 1-[[(2R)-1-benzyl-2-methylpyrrolidin-2-yl]methyl]-3-(1,3-thiazol-2-ylmethyl)urea?
The canonical SMILES for 1-[[(2R)-1-benzyl-2-methylpyrrolidin-2-yl]methyl]-3-(1,3-thiazol-2-ylmethyl)urea is C[C@]1(CNC(=O)NCc2nccs2)CCCN1Cc1ccccc1.
What is the InChIKey of 1-[[(2R)-1-benzyl-2-methylpyrrolidin-2-yl]methyl]-3-(1,3-thiazol-2-ylmethyl)urea?
The InChIKey is WSXNPQCHIVMGEK-GOSISDBHSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-18(14-21-17(23)20-12-16-19-9-11-24-16)8-5-10-22(18)13-15-6-3-2-4-7-15/h2-4,6-7,9,11H,5,8,10,12-14H2,1H3,(H2,20,21,23)/t18-/m1/s1.
What are the key properties of 1-[[(2R)-1-benzyl-2-methylpyrrolidin-2-yl]methyl]-3-(1,3-thiazol-2-ylmethyl)urea?
1-[[(2R)-1-benzyl-2-methylpyrrolidin-2-yl]methyl]-3-(1,3-thiazol-2-ylmethyl)urea has a molecular weight of 344.48 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-1-benzyl-2-methylpyrrolidin-2-yl]methyl]-3-(1,3-thiazol-2-ylmethyl)urea is sourced from PubChem (CID 99823025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).