1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]urea

C15H14F2N6O2S — CID 126766209

IUPAC1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]urea
SMILESCOc1cccc(-c2nsc(NC(=O)NCc3nccn3C(F)F)n2)c1
InChIInChI=1S/C15H14F2N6O2S/c1-25-10-4-2-3-9(7-10)12-20-15(26-22-12)21-14(24)19-8-11-18-5-6-23(11)13(16)17/h2-7,13H,8H2,1H3,(H2,19,20,21,22,24)
InChIKeyIOSNGQNDAIXWHX-UHFFFAOYSA-N
MW380.38 g/mol
LogP3.13
Rot. Bonds6

About 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]urea

1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]urea (PubChem CID 126766209) has the molecular formula C15H14F2N6O2S and a molecular weight of 380.38 g/mol. Its IUPAC name is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]urea.

Molecular Properties

Compound Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]urea
PubChem CID126766209
Molecular FormulaC15H14F2N6O2S
Molecular Weight380.38 g/mol
Exact Mass380.09
IUPAC Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]urea
SMILESCOc1cccc(-c2nsc(NC(=O)NCc3nccn3C(F)F)n2)c1
InChIInChI=1S/C15H14F2N6O2S/c1-25-10-4-2-3-9(7-10)12-20-15(26-22-12)21-14(24)19-8-11-18-5-6-23(11)13(16)17/h2-7,13H,8H2,1H3,(H2,19,20,21,22,24)
InChIKeyIOSNGQNDAIXWHX-UHFFFAOYSA-N
XLogP3.13
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-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

Related Compounds

N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 52904761
3-(3-methoxyphenyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 65268111
3-(3-methoxyphenyl)-N-methyl-1,2,4-thiadiazol-5-amine
CID 65268854
2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 38302528
2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]acetamide
CID 126775905
1-[(3-methoxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea;hydrochloride
CID 87406316
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethoxyaniline
CID 43111998
1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-3-(naphthalen-1-ylmethyl)urea
CID 121081387
2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]acetamide
CID 75369437
1-(3-methoxyphenyl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 100746710
[1-(difluoromethyl)imidazol-2-yl]methyl 3-[(4-methoxyphenyl)sulfamoyl]benzoate
CID 16616883
5-ethyl-3-(3-methoxyphenyl)-1,2,4-thiadiazole
CID 162444221

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]urea?
The IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]urea (CID 126766209) is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]urea.
What is the SMILES notation for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]urea?
The canonical SMILES for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]urea is COc1cccc(-c2nsc(NC(=O)NCc3nccn3C(F)F)n2)c1.
What is the InChIKey of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]urea?
The InChIKey is IOSNGQNDAIXWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N6O2S/c1-25-10-4-2-3-9(7-10)12-20-15(26-22-12)21-14(24)19-8-11-18-5-6-23(11)13(16)17/h2-7,13H,8H2,1H3,(H2,19,20,21,22,24).
What are the key properties of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]urea?
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]urea has a molecular weight of 380.38 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]urea is sourced from PubChem (CID 126766209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).