3-[[(3R)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-1-methyl-1-(1,3-thiazol-2-ylmethyl)urea

C18H23FN4OS — CID 125439816

IUPAC3-[[(3R)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-1-methyl-1-(1,3-thiazol-2-ylmethyl)urea
SMILESCN(Cc1nccs1)C(=O)NC[C@H]1CCN(Cc2ccccc2F)C1
InChIInChI=1S/C18H23FN4OS/c1-22(13-17-20-7-9-25-17)18(24)21-10-14-6-8-23(11-14)12-15-4-2-3-5-16(15)19/h2-5,7,9,14H,6,8,10-13H2,1H3,(H,21,24)/t14-/m1/s1
InChIKeyNTOXPDMZCNADQO-CQSZACIVSA-N
MW362.47 g/mol
LogP2.95
Rot. Bonds6

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

3-[[(3R)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-1-methyl-1-(1,3-thiazol-2-ylmethyl)urea (PubChem CID 125439816) has the molecular formula C18H23FN4OS and a molecular weight of 362.47 g/mol. Its IUPAC name is 3-[[(3R)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-1-methyl-1-(1,3-thiazol-2-ylmethyl)urea.

Molecular Properties

Compound Name3-[[(3R)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-1-methyl-1-(1,3-thiazol-2-ylmethyl)urea
PubChem CID125439816
Molecular FormulaC18H23FN4OS
Molecular Weight362.47 g/mol
Exact Mass362.16
IUPAC Name3-[[(3R)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-1-methyl-1-(1,3-thiazol-2-ylmethyl)urea
SMILESCN(Cc1nccs1)C(=O)NC[C@H]1CCN(Cc2ccccc2F)C1
InChIInChI=1S/C18H23FN4OS/c1-22(13-17-20-7-9-25-17)18(24)21-10-14-6-8-23(11-14)12-15-4-2-3-5-16(15)19/h2-5,7,9,14H,6,8,10-13H2,1H3,(H,21,24)/t14-/m1/s1
InChIKeyNTOXPDMZCNADQO-CQSZACIVSA-N
XLogP2.95
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[(3R)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-1-methyl-1-(1,3-thiazol-2-ylmethyl)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 3-[[(3R)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-1-methyl-1-(1,3-thiazol-2-ylmethyl)urea?
The IUPAC name of 3-[[(3R)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-1-methyl-1-(1,3-thiazol-2-ylmethyl)urea (CID 125439816) is 3-[[(3R)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-1-methyl-1-(1,3-thiazol-2-ylmethyl)urea.
What is the SMILES notation for 3-[[(3R)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-1-methyl-1-(1,3-thiazol-2-ylmethyl)urea?
The canonical SMILES for 3-[[(3R)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-1-methyl-1-(1,3-thiazol-2-ylmethyl)urea is CN(Cc1nccs1)C(=O)NC[C@H]1CCN(Cc2ccccc2F)C1.
What is the InChIKey of 3-[[(3R)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-1-methyl-1-(1,3-thiazol-2-ylmethyl)urea?
The InChIKey is NTOXPDMZCNADQO-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23FN4OS/c1-22(13-17-20-7-9-25-17)18(24)21-10-14-6-8-23(11-14)12-15-4-2-3-5-16(15)19/h2-5,7,9,14H,6,8,10-13H2,1H3,(H,21,24)/t14-/m1/s1.
What are the key properties of 3-[[(3R)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-1-methyl-1-(1,3-thiazol-2-ylmethyl)urea?
3-[[(3R)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-1-methyl-1-(1,3-thiazol-2-ylmethyl)urea has a molecular weight of 362.47 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3R)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-1-methyl-1-(1,3-thiazol-2-ylmethyl)urea is sourced from PubChem (CID 125439816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).