1-[2-(1,3-benzothiazol-2-yl)propyl]-3-(2,4-difluorophenyl)urea

C17H15F2N3OS — CID 86861240

IUPAC1-[2-(1,3-benzothiazol-2-yl)propyl]-3-(2,4-difluorophenyl)urea
SMILESCC(CNC(=O)Nc1ccc(F)cc1F)c1nc2ccccc2s1
InChIInChI=1S/C17H15F2N3OS/c1-10(16-21-14-4-2-3-5-15(14)24-16)9-20-17(23)22-13-7-6-11(18)8-12(13)19/h2-8,10H,9H2,1H3,(H2,20,22,23)
InChIKeyIXZAOELQENVWAR-UHFFFAOYSA-N
MW347.39 g/mol
LogP4.50
Rot. Bonds4

About 1-[2-(1,3-benzothiazol-2-yl)propyl]-3-(2,4-difluorophenyl)urea

1-[2-(1,3-benzothiazol-2-yl)propyl]-3-(2,4-difluorophenyl)urea (PubChem CID 86861240) has the molecular formula C17H15F2N3OS and a molecular weight of 347.39 g/mol. Its IUPAC name is 1-[2-(1,3-benzothiazol-2-yl)propyl]-3-(2,4-difluorophenyl)urea.

Molecular Properties

Compound Name1-[2-(1,3-benzothiazol-2-yl)propyl]-3-(2,4-difluorophenyl)urea
PubChem CID86861240
Molecular FormulaC17H15F2N3OS
Molecular Weight347.39 g/mol
Exact Mass347.09
IUPAC Name1-[2-(1,3-benzothiazol-2-yl)propyl]-3-(2,4-difluorophenyl)urea
SMILESCC(CNC(=O)Nc1ccc(F)cc1F)c1nc2ccccc2s1
InChIInChI=1S/C17H15F2N3OS/c1-10(16-21-14-4-2-3-5-15(14)24-16)9-20-17(23)22-13-7-6-11(18)8-12(13)19/h2-8,10H,9H2,1H3,(H2,20,22,23)
InChIKeyIXZAOELQENVWAR-UHFFFAOYSA-N
XLogP4.50
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(1,3-benzothiazol-2-yl)propyl]-3-(2,4-difluorophenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(1,3-benzothiazol-2-yl)propyl]-2-methylsulfonylpropanamide
CID 86858216
[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate
CID 8738743
1-(2,4-difluorophenyl)-3-(2-phenylbutyl)urea
CID 46647394
1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(2,4-difluorophenyl)urea
CID 51579414
(Z)-N-[(2R)-2-(1,3-benzothiazol-2-yl)propyl]-3-phenylprop-2-enamide
CID 97456571
3-(1,3-benzothiazol-2-yl)-N-(4-bromo-2-fluorophenyl)-2,3-dihydroxypropanamide
CID 112809559
1-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-(2,4-difluorophenyl)urea
CID 62668202
N-[(2R)-2-(1,3-benzothiazol-2-yl)propyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 97235757
methyl 3-[(2,4-difluorophenyl)carbamoylamino]-2-hydroxypropanoate
CID 103878987
N-[1-(1,3-benzothiazol-2-yl)ethyl]-2-chloro-4-fluoroaniline
CID 43086158
2-[[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 9048734
(1S)-N-[(2S)-2-(1,3-benzothiazol-2-yl)propyl]cyclohex-3-ene-1-carboxamide
CID 97019867

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-benzothiazol-2-yl)propyl]-3-(2,4-difluorophenyl)urea?
The IUPAC name of 1-[2-(1,3-benzothiazol-2-yl)propyl]-3-(2,4-difluorophenyl)urea (CID 86861240) is 1-[2-(1,3-benzothiazol-2-yl)propyl]-3-(2,4-difluorophenyl)urea.
What is the SMILES notation for 1-[2-(1,3-benzothiazol-2-yl)propyl]-3-(2,4-difluorophenyl)urea?
The canonical SMILES for 1-[2-(1,3-benzothiazol-2-yl)propyl]-3-(2,4-difluorophenyl)urea is CC(CNC(=O)Nc1ccc(F)cc1F)c1nc2ccccc2s1.
What is the InChIKey of 1-[2-(1,3-benzothiazol-2-yl)propyl]-3-(2,4-difluorophenyl)urea?
The InChIKey is IXZAOELQENVWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3OS/c1-10(16-21-14-4-2-3-5-15(14)24-16)9-20-17(23)22-13-7-6-11(18)8-12(13)19/h2-8,10H,9H2,1H3,(H2,20,22,23).
What are the key properties of 1-[2-(1,3-benzothiazol-2-yl)propyl]-3-(2,4-difluorophenyl)urea?
1-[2-(1,3-benzothiazol-2-yl)propyl]-3-(2,4-difluorophenyl)urea has a molecular weight of 347.39 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-benzothiazol-2-yl)propyl]-3-(2,4-difluorophenyl)urea is sourced from PubChem (CID 86861240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).