1-(2,2-difluoroethyl)-3-(5-methoxy-1,3,4-thiadiazol-2-yl)urea

C6H8F2N4O2S — CID 122131609

IUPAC1-(2,2-difluoroethyl)-3-(5-methoxy-1,3,4-thiadiazol-2-yl)urea
SMILESCOc1nnc(NC(=O)NCC(F)F)s1
InChIInChI=1S/C6H8F2N4O2S/c1-14-6-12-11-5(15-6)10-4(13)9-2-3(7)8/h3H,2H2,1H3,(H2,9,10,11,13)
InChIKeyKTWJJRCXRZCQBA-UHFFFAOYSA-N
MW238.22 g/mol
LogP0.93
Rot. Bonds4

About 1-(2,2-difluoroethyl)-3-(5-methoxy-1,3,4-thiadiazol-2-yl)urea

1-(2,2-difluoroethyl)-3-(5-methoxy-1,3,4-thiadiazol-2-yl)urea (PubChem CID 122131609) has the molecular formula C6H8F2N4O2S and a molecular weight of 238.22 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-(5-methoxy-1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-(5-methoxy-1,3,4-thiadiazol-2-yl)urea
PubChem CID122131609
Molecular FormulaC6H8F2N4O2S
Molecular Weight238.22 g/mol
Exact Mass238.03
IUPAC Name1-(2,2-difluoroethyl)-3-(5-methoxy-1,3,4-thiadiazol-2-yl)urea
SMILESCOc1nnc(NC(=O)NCC(F)F)s1
InChIInChI=1S/C6H8F2N4O2S/c1-14-6-12-11-5(15-6)10-4(13)9-2-3(7)8/h3H,2H2,1H3,(H2,9,10,11,13)
InChIKeyKTWJJRCXRZCQBA-UHFFFAOYSA-N
XLogP0.93
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,2-difluoroethyl)-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 124607917
tert-butyl (2S)-2-[(5-methoxy-1,3,4-thiadiazol-2-yl)carbamoylamino]propanoate
CID 122131613
1-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 94024716
1-(2,3-dihydro-1H-inden-2-yl)-3-(5-methoxy-1,3,4-thiadiazol-2-yl)urea
CID 167920137
1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea
CID 75505091
2-methyl-3-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]propanoic acid
CID 106262182
1-(2-methoxypropyl)-3-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-yl]urea
CID 166237684
1-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 95191116
1-ethyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 21417198
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111473151
1-(2,2-difluoroethyl)-3-(1H-pyrazol-4-yl)urea
CID 130991878
methyl 4-[2-[[3-(2,2-difluoroethylamino)-3-oxopropyl]carbamoylamino]-4-methyl-1,3-thiazol-5-yl]benzoate
CID 23585003

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-(5-methoxy-1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-(2,2-difluoroethyl)-3-(5-methoxy-1,3,4-thiadiazol-2-yl)urea (CID 122131609) is 1-(2,2-difluoroethyl)-3-(5-methoxy-1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-(5-methoxy-1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-(5-methoxy-1,3,4-thiadiazol-2-yl)urea is COc1nnc(NC(=O)NCC(F)F)s1.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-(5-methoxy-1,3,4-thiadiazol-2-yl)urea?
The InChIKey is KTWJJRCXRZCQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N4O2S/c1-14-6-12-11-5(15-6)10-4(13)9-2-3(7)8/h3H,2H2,1H3,(H2,9,10,11,13).
What are the key properties of 1-(2,2-difluoroethyl)-3-(5-methoxy-1,3,4-thiadiazol-2-yl)urea?
1-(2,2-difluoroethyl)-3-(5-methoxy-1,3,4-thiadiazol-2-yl)urea has a molecular weight of 238.22 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3-(5-methoxy-1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 122131609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).