3-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-methyl-1-[(1-phenylcyclopropyl)methyl]urea

C19H23N3OS — CID 99827848

IUPAC3-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-methyl-1-[(1-phenylcyclopropyl)methyl]urea
SMILESCN(CC1(c2ccccc2)CC1)C(=O)NCc1nc(C2CC2)cs1
InChIInChI=1S/C19H23N3OS/c1-22(13-19(9-10-19)15-5-3-2-4-6-15)18(23)20-11-17-21-16(12-24-17)14-7-8-14/h2-6,12,14H,7-11,13H2,1H3,(H,20,23)
InChIKeyGKPABIWGJMCXQX-UHFFFAOYSA-N
MW341.48 g/mol
LogP3.89
Rot. Bonds6

About 3-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-methyl-1-[(1-phenylcyclopropyl)methyl]urea

3-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-methyl-1-[(1-phenylcyclopropyl)methyl]urea (PubChem CID 99827848) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is 3-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-methyl-1-[(1-phenylcyclopropyl)methyl]urea.

Molecular Properties

Compound Name3-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-methyl-1-[(1-phenylcyclopropyl)methyl]urea
PubChem CID99827848
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name3-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-methyl-1-[(1-phenylcyclopropyl)methyl]urea
SMILESCN(CC1(c2ccccc2)CC1)C(=O)NCc1nc(C2CC2)cs1
InChIInChI=1S/C19H23N3OS/c1-22(13-19(9-10-19)15-5-3-2-4-6-15)18(23)20-11-17-21-16(12-24-17)14-7-8-14/h2-6,12,14H,7-11,13H2,1H3,(H,20,23)
InChIKeyGKPABIWGJMCXQX-UHFFFAOYSA-N
XLogP3.89
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-methyl-1-[(1-phenylcyclopropyl)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 3-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-methyl-1-[(1-phenylcyclopropyl)methyl]urea?
The IUPAC name of 3-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-methyl-1-[(1-phenylcyclopropyl)methyl]urea (CID 99827848) is 3-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-methyl-1-[(1-phenylcyclopropyl)methyl]urea.
What is the SMILES notation for 3-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-methyl-1-[(1-phenylcyclopropyl)methyl]urea?
The canonical SMILES for 3-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-methyl-1-[(1-phenylcyclopropyl)methyl]urea is CN(CC1(c2ccccc2)CC1)C(=O)NCc1nc(C2CC2)cs1.
What is the InChIKey of 3-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-methyl-1-[(1-phenylcyclopropyl)methyl]urea?
The InChIKey is GKPABIWGJMCXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-22(13-19(9-10-19)15-5-3-2-4-6-15)18(23)20-11-17-21-16(12-24-17)14-7-8-14/h2-6,12,14H,7-11,13H2,1H3,(H,20,23).
What are the key properties of 3-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-methyl-1-[(1-phenylcyclopropyl)methyl]urea?
3-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-methyl-1-[(1-phenylcyclopropyl)methyl]urea has a molecular weight of 341.48 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-methyl-1-[(1-phenylcyclopropyl)methyl]urea is sourced from PubChem (CID 99827848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).