3-[5-[(3,5-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-ethyl-1-[(1-hydroxycyclopropyl)methyl]urea

C16H18F2N4O2S — CID 166568190

IUPAC3-[5-[(3,5-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-ethyl-1-[(1-hydroxycyclopropyl)methyl]urea
SMILESCCN(CC1(O)CC1)C(=O)Nc1nnc(Cc2cc(F)cc(F)c2)s1
InChIInChI=1S/C16H18F2N4O2S/c1-2-22(9-16(24)3-4-16)15(23)19-14-21-20-13(25-14)7-10-5-11(17)8-12(18)6-10/h5-6,8,24H,2-4,7,9H2,1H3,(H,19,21,23)
InChIKeyNIERXUTUNHEIDJ-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.79
Rot. Bonds6

About 3-[5-[(3,5-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-ethyl-1-[(1-hydroxycyclopropyl)methyl]urea

3-[5-[(3,5-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-ethyl-1-[(1-hydroxycyclopropyl)methyl]urea (PubChem CID 166568190) has the molecular formula C16H18F2N4O2S and a molecular weight of 368.41 g/mol. Its IUPAC name is 3-[5-[(3,5-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-ethyl-1-[(1-hydroxycyclopropyl)methyl]urea.

Molecular Properties

Compound Name3-[5-[(3,5-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-ethyl-1-[(1-hydroxycyclopropyl)methyl]urea
PubChem CID166568190
Molecular FormulaC16H18F2N4O2S
Molecular Weight368.41 g/mol
Exact Mass368.11
IUPAC Name3-[5-[(3,5-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-ethyl-1-[(1-hydroxycyclopropyl)methyl]urea
SMILESCCN(CC1(O)CC1)C(=O)Nc1nnc(Cc2cc(F)cc(F)c2)s1
InChIInChI=1S/C16H18F2N4O2S/c1-2-22(9-16(24)3-4-16)15(23)19-14-21-20-13(25-14)7-10-5-11(17)8-12(18)6-10/h5-6,8,24H,2-4,7,9H2,1H3,(H,19,21,23)
InChIKeyNIERXUTUNHEIDJ-UHFFFAOYSA-N
XLogP2.79
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[5-[(3,5-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-ethyl-1-[(1-hydroxycyclopropyl)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

Related Compounds

1-ethyl-3-[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-(2-hydroxy-2-methylpropyl)urea
CID 166568163
3-[5-[(3,5-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-methyl-1-(oxolan-2-ylmethyl)urea
CID 166568182
3-[5-[(3,5-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-methyl-1-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]urea
CID 156738047
3-[5-[(3,5-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-methyl-1-(oxolan-3-ylmethyl)urea
CID 166568162
3-[5-[(3-fluoro-5-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-methyl-1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]urea
CID 166568167
3-[5-[(2,5-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-ethyl-1-[(2S)-2-hydroxypropyl]urea
CID 167288107
1-cyclopropyl-3-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-(2-hydroxyethyl)urea
CID 111107543
3-(5-butyl-1,3,4-thiadiazol-2-yl)-1-ethyl-1-(2-hydroxyethyl)urea
CID 110890745
4-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 56920172
3-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-(2-hydroxyethyl)-1-propylurea
CID 111109536
N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pentanamide
CID 3120553
2-(3,5-difluorophenyl)-N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide;2,2,2-trifluoroacetic acid
CID 45489498

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(3,5-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-ethyl-1-[(1-hydroxycyclopropyl)methyl]urea?
The IUPAC name of 3-[5-[(3,5-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-ethyl-1-[(1-hydroxycyclopropyl)methyl]urea (CID 166568190) is 3-[5-[(3,5-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-ethyl-1-[(1-hydroxycyclopropyl)methyl]urea.
What is the SMILES notation for 3-[5-[(3,5-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-ethyl-1-[(1-hydroxycyclopropyl)methyl]urea?
The canonical SMILES for 3-[5-[(3,5-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-ethyl-1-[(1-hydroxycyclopropyl)methyl]urea is CCN(CC1(O)CC1)C(=O)Nc1nnc(Cc2cc(F)cc(F)c2)s1.
What is the InChIKey of 3-[5-[(3,5-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-ethyl-1-[(1-hydroxycyclopropyl)methyl]urea?
The InChIKey is NIERXUTUNHEIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4O2S/c1-2-22(9-16(24)3-4-16)15(23)19-14-21-20-13(25-14)7-10-5-11(17)8-12(18)6-10/h5-6,8,24H,2-4,7,9H2,1H3,(H,19,21,23).
What are the key properties of 3-[5-[(3,5-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-ethyl-1-[(1-hydroxycyclopropyl)methyl]urea?
3-[5-[(3,5-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-ethyl-1-[(1-hydroxycyclopropyl)methyl]urea has a molecular weight of 368.41 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(3,5-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-ethyl-1-[(1-hydroxycyclopropyl)methyl]urea is sourced from PubChem (CID 166568190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).