3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-methyl-1-[(1-phenylcyclopropyl)methyl]urea

C18H23N3OS — CID 99788548

IUPAC3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-methyl-1-[(1-phenylcyclopropyl)methyl]urea
SMILESCc1nc(CNC(=O)N(C)CC2(c3ccccc3)CC2)sc1C
InChIInChI=1S/C18H23N3OS/c1-13-14(2)23-16(20-13)11-19-17(22)21(3)12-18(9-10-18)15-7-5-4-6-8-15/h4-8H,9-12H2,1-3H3,(H,19,22)
InChIKeyWPJDBWOODBIWLU-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.63
Rot. Bonds5

About 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-methyl-1-[(1-phenylcyclopropyl)methyl]urea

3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-methyl-1-[(1-phenylcyclopropyl)methyl]urea (PubChem CID 99788548) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-methyl-1-[(1-phenylcyclopropyl)methyl]urea.

Molecular Properties

Compound Name3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-methyl-1-[(1-phenylcyclopropyl)methyl]urea
PubChem CID99788548
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-methyl-1-[(1-phenylcyclopropyl)methyl]urea
SMILESCc1nc(CNC(=O)N(C)CC2(c3ccccc3)CC2)sc1C
InChIInChI=1S/C18H23N3OS/c1-13-14(2)23-16(20-13)11-19-17(22)21(3)12-18(9-10-18)15-7-5-4-6-8-15/h4-8H,9-12H2,1-3H3,(H,19,22)
InChIKeyWPJDBWOODBIWLU-UHFFFAOYSA-N
XLogP3.63
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(4,5-dimethyl-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-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-methyl-1-[(1-phenylcyclopropyl)methyl]urea?
The IUPAC name of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-methyl-1-[(1-phenylcyclopropyl)methyl]urea (CID 99788548) is 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-methyl-1-[(1-phenylcyclopropyl)methyl]urea.
What is the SMILES notation for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-methyl-1-[(1-phenylcyclopropyl)methyl]urea?
The canonical SMILES for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-methyl-1-[(1-phenylcyclopropyl)methyl]urea is Cc1nc(CNC(=O)N(C)CC2(c3ccccc3)CC2)sc1C.
What is the InChIKey of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-methyl-1-[(1-phenylcyclopropyl)methyl]urea?
The InChIKey is WPJDBWOODBIWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-13-14(2)23-16(20-13)11-19-17(22)21(3)12-18(9-10-18)15-7-5-4-6-8-15/h4-8H,9-12H2,1-3H3,(H,19,22).
What are the key properties of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-methyl-1-[(1-phenylcyclopropyl)methyl]urea?
3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-methyl-1-[(1-phenylcyclopropyl)methyl]urea has a molecular weight of 329.47 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-methyl-1-[(1-phenylcyclopropyl)methyl]urea is sourced from PubChem (CID 99788548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).