1-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]urea

C11H13F5N4OS — CID 75506326

IUPAC1-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]urea
SMILESO=C(Nc1nnc(C(F)F)s1)NC(C1CCCC1)C(F)(F)F
InChIInChI=1S/C11H13F5N4OS/c12-7(13)8-19-20-10(22-8)18-9(21)17-6(11(14,15)16)5-3-1-2-4-5/h5-7H,1-4H2,(H2,17,18,20,21)
InChIKeyUOTUCZLWVWONJB-UHFFFAOYSA-N
MW344.31 g/mol
LogP3.72
Rot. Bonds4

About 1-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]urea

1-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]urea (PubChem CID 75506326) has the molecular formula C11H13F5N4OS and a molecular weight of 344.31 g/mol. Its IUPAC name is 1-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]urea.

Molecular Properties

Compound Name1-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]urea
PubChem CID75506326
Molecular FormulaC11H13F5N4OS
Molecular Weight344.31 g/mol
Exact Mass344.07
IUPAC Name1-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]urea
SMILESO=C(Nc1nnc(C(F)F)s1)NC(C1CCCC1)C(F)(F)F
InChIInChI=1S/C11H13F5N4OS/c12-7(13)8-19-20-10(22-8)18-9(21)17-6(11(14,15)16)5-3-1-2-4-5/h5-7H,1-4H2,(H2,17,18,20,21)
InChIKeyUOTUCZLWVWONJB-UHFFFAOYSA-N
XLogP3.72
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.31
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]urea with MolForge

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Related Compounds

methyl 3-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]piperidine-1-carboxylate
CID 56823506
9-amino-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120987466
N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119301351
(2R,5S)-5-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]oxolane-2-carboxylic acid
CID 126816631
1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
CID 99631296
N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-ynamide
CID 130744096
1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111120642
cis-(1S,2R)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 51959189
trans-(1S,2S)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 51959187
(2S,4S)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-methylpiperidine-4-carboxamide
CID 120625071
methyl 3-[(1-cyclopentyl-2,2,2-trifluoroethyl)carbamoylamino]-4-fluorobenzoate
CID 75439115
methyl 3-[[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]carbamoylamino]-4-fluorobenzoate
CID 97332421

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]urea?
The IUPAC name of 1-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]urea (CID 75506326) is 1-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]urea.
What is the SMILES notation for 1-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]urea?
The canonical SMILES for 1-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]urea is O=C(Nc1nnc(C(F)F)s1)NC(C1CCCC1)C(F)(F)F.
What is the InChIKey of 1-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]urea?
The InChIKey is UOTUCZLWVWONJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F5N4OS/c12-7(13)8-19-20-10(22-8)18-9(21)17-6(11(14,15)16)5-3-1-2-4-5/h5-7H,1-4H2,(H2,17,18,20,21).
What are the key properties of 1-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]urea?
1-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]urea has a molecular weight of 344.31 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]urea is sourced from PubChem (CID 75506326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).