1-cyclopropyl-1-(2,2-difluoroethyl)-3-(4-ethyl-1,3-thiazol-2-yl)urea

C11H15F2N3OS — CID 71971478

IUPAC1-cyclopropyl-1-(2,2-difluoroethyl)-3-(4-ethyl-1,3-thiazol-2-yl)urea
SMILESCCc1csc(NC(=O)N(CC(F)F)C2CC2)n1
InChIInChI=1S/C11H15F2N3OS/c1-2-7-6-18-10(14-7)15-11(17)16(5-9(12)13)8-3-4-8/h6,8-9H,2-5H2,1H3,(H,14,15,17)
InChIKeyRVCMBSIITPMKCK-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.97
Rot. Bonds5

About 1-cyclopropyl-1-(2,2-difluoroethyl)-3-(4-ethyl-1,3-thiazol-2-yl)urea

1-cyclopropyl-1-(2,2-difluoroethyl)-3-(4-ethyl-1,3-thiazol-2-yl)urea (PubChem CID 71971478) has the molecular formula C11H15F2N3OS and a molecular weight of 275.32 g/mol. Its IUPAC name is 1-cyclopropyl-1-(2,2-difluoroethyl)-3-(4-ethyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-cyclopropyl-1-(2,2-difluoroethyl)-3-(4-ethyl-1,3-thiazol-2-yl)urea
PubChem CID71971478
Molecular FormulaC11H15F2N3OS
Molecular Weight275.32 g/mol
Exact Mass275.09
IUPAC Name1-cyclopropyl-1-(2,2-difluoroethyl)-3-(4-ethyl-1,3-thiazol-2-yl)urea
SMILESCCc1csc(NC(=O)N(CC(F)F)C2CC2)n1
InChIInChI=1S/C11H15F2N3OS/c1-2-7-6-18-10(14-7)15-11(17)16(5-9(12)13)8-3-4-8/h6,8-9H,2-5H2,1H3,(H,14,15,17)
InChIKeyRVCMBSIITPMKCK-UHFFFAOYSA-N
XLogP2.97
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropyl-1-(2,2-difluoroethyl)-3-(4-ethyl-1,3-thiazol-2-yl)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-cyclopropyl-1-(2,2-difluoroethyl)-3-(4-ethyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-cyclopropyl-1-(2,2-difluoroethyl)-3-(4-ethyl-1,3-thiazol-2-yl)urea (CID 71971478) is 1-cyclopropyl-1-(2,2-difluoroethyl)-3-(4-ethyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-cyclopropyl-1-(2,2-difluoroethyl)-3-(4-ethyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-cyclopropyl-1-(2,2-difluoroethyl)-3-(4-ethyl-1,3-thiazol-2-yl)urea is CCc1csc(NC(=O)N(CC(F)F)C2CC2)n1.
What is the InChIKey of 1-cyclopropyl-1-(2,2-difluoroethyl)-3-(4-ethyl-1,3-thiazol-2-yl)urea?
The InChIKey is RVCMBSIITPMKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3OS/c1-2-7-6-18-10(14-7)15-11(17)16(5-9(12)13)8-3-4-8/h6,8-9H,2-5H2,1H3,(H,14,15,17).
What are the key properties of 1-cyclopropyl-1-(2,2-difluoroethyl)-3-(4-ethyl-1,3-thiazol-2-yl)urea?
1-cyclopropyl-1-(2,2-difluoroethyl)-3-(4-ethyl-1,3-thiazol-2-yl)urea has a molecular weight of 275.32 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(2,2-difluoroethyl)-3-(4-ethyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 71971478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).