1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(1R)-2-(2-fluorophenoxy)-1-phenylethyl]urea

C20H19FN4O2S — CID 51960042

IUPAC1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(1R)-2-(2-fluorophenoxy)-1-phenylethyl]urea
SMILESO=C(Nc1nnc(C2CC2)s1)N[C@@H](COc1ccccc1F)c1ccccc1
InChIInChI=1S/C20H19FN4O2S/c21-15-8-4-5-9-17(15)27-12-16(13-6-2-1-3-7-13)22-19(26)23-20-25-24-18(28-20)14-10-11-14/h1-9,14,16H,10-12H2,(H2,22,23,25,26)/t16-/m0/s1
InChIKeyIMSWOCYYROWZGU-INIZCTEOSA-N
MW398.46 g/mol
LogP4.50
Rot. Bonds7

About 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(1R)-2-(2-fluorophenoxy)-1-phenylethyl]urea

1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(1R)-2-(2-fluorophenoxy)-1-phenylethyl]urea (PubChem CID 51960042) has the molecular formula C20H19FN4O2S and a molecular weight of 398.46 g/mol. Its IUPAC name is 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(1R)-2-(2-fluorophenoxy)-1-phenylethyl]urea.

Molecular Properties

Compound Name1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(1R)-2-(2-fluorophenoxy)-1-phenylethyl]urea
PubChem CID51960042
Molecular FormulaC20H19FN4O2S
Molecular Weight398.46 g/mol
Exact Mass398.12
IUPAC Name1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(1R)-2-(2-fluorophenoxy)-1-phenylethyl]urea
SMILESO=C(Nc1nnc(C2CC2)s1)N[C@@H](COc1ccccc1F)c1ccccc1
InChIInChI=1S/C20H19FN4O2S/c21-15-8-4-5-9-17(15)27-12-16(13-6-2-1-3-7-13)22-19(26)23-20-25-24-18(28-20)14-10-11-14/h1-9,14,16H,10-12H2,(H2,22,23,25,26)/t16-/m0/s1
InChIKeyIMSWOCYYROWZGU-INIZCTEOSA-N
XLogP4.50
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(1R)-2-(2-fluorophenoxy)-1-phenylethyl]urea with MolForge

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Related Compounds

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-fluorophenyl)sulfanylacetamide
CID 30279767
2-(cyclopropylmethylamino)-N-[2-(2-fluorophenoxy)-1-phenylethyl]acetamide
CID 119735715
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,2-diphenylacetamide
CID 2408234
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-phenylbutanamide
CID 5154361
N-[2-(2-fluorophenoxy)-1-phenylethyl]-1,4-dithiane-2-carboxamide
CID 87004751
2-[[2-(2-fluorophenoxy)-1-phenylethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119181692
2-chloro-N-[2-(2-fluorophenoxy)-1-phenylethyl]acetamide
CID 146083123
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(difluoromethoxy)benzamide
CID 18077911
(E)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2-fluorophenyl)prop-2-enamide
CID 8502989
N-[2-(2-fluorophenoxy)-1-phenylethyl]piperidine-3-carboxamide
CID 119296109
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1-hydroxypropan-2-yl)urea
CID 47196431
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-propan-2-yloxybenzamide
CID 167979514

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(1R)-2-(2-fluorophenoxy)-1-phenylethyl]urea?
The IUPAC name of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(1R)-2-(2-fluorophenoxy)-1-phenylethyl]urea (CID 51960042) is 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(1R)-2-(2-fluorophenoxy)-1-phenylethyl]urea.
What is the SMILES notation for 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(1R)-2-(2-fluorophenoxy)-1-phenylethyl]urea?
The canonical SMILES for 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(1R)-2-(2-fluorophenoxy)-1-phenylethyl]urea is O=C(Nc1nnc(C2CC2)s1)N[C@@H](COc1ccccc1F)c1ccccc1.
What is the InChIKey of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(1R)-2-(2-fluorophenoxy)-1-phenylethyl]urea?
The InChIKey is IMSWOCYYROWZGU-INIZCTEOSA-N. The full InChI is InChI=1S/C20H19FN4O2S/c21-15-8-4-5-9-17(15)27-12-16(13-6-2-1-3-7-13)22-19(26)23-20-25-24-18(28-20)14-10-11-14/h1-9,14,16H,10-12H2,(H2,22,23,25,26)/t16-/m0/s1.
What are the key properties of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(1R)-2-(2-fluorophenoxy)-1-phenylethyl]urea?
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(1R)-2-(2-fluorophenoxy)-1-phenylethyl]urea has a molecular weight of 398.46 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(1R)-2-(2-fluorophenoxy)-1-phenylethyl]urea is sourced from PubChem (CID 51960042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).