1-[[1-(2,2-difluoroethyl)pyrrolidin-2-yl]methyl]-3-(thiadiazol-5-yl)urea

C10H15F2N5OS — CID 138025037

IUPAC1-[[1-(2,2-difluoroethyl)pyrrolidin-2-yl]methyl]-3-(thiadiazol-5-yl)urea
SMILESO=C(NCC1CCCN1CC(F)F)Nc1cnns1
InChIInChI=1S/C10H15F2N5OS/c11-8(12)6-17-3-1-2-7(17)4-13-10(18)15-9-5-14-16-19-9/h5,7-8H,1-4,6H2,(H2,13,15,18)
InChIKeyGYSZSBCHGUZCGT-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.39
Rot. Bonds5

About 1-[[1-(2,2-difluoroethyl)pyrrolidin-2-yl]methyl]-3-(thiadiazol-5-yl)urea

1-[[1-(2,2-difluoroethyl)pyrrolidin-2-yl]methyl]-3-(thiadiazol-5-yl)urea (PubChem CID 138025037) has the molecular formula C10H15F2N5OS and a molecular weight of 291.33 g/mol. Its IUPAC name is 1-[[1-(2,2-difluoroethyl)pyrrolidin-2-yl]methyl]-3-(thiadiazol-5-yl)urea.

Molecular Properties

Compound Name1-[[1-(2,2-difluoroethyl)pyrrolidin-2-yl]methyl]-3-(thiadiazol-5-yl)urea
PubChem CID138025037
Molecular FormulaC10H15F2N5OS
Molecular Weight291.33 g/mol
Exact Mass291.10
IUPAC Name1-[[1-(2,2-difluoroethyl)pyrrolidin-2-yl]methyl]-3-(thiadiazol-5-yl)urea
SMILESO=C(NCC1CCCN1CC(F)F)Nc1cnns1
InChIInChI=1S/C10H15F2N5OS/c11-8(12)6-17-3-1-2-7(17)4-13-10(18)15-9-5-14-16-19-9/h5,7-8H,1-4,6H2,(H2,13,15,18)
InChIKeyGYSZSBCHGUZCGT-UHFFFAOYSA-N
XLogP1.39
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2,2-difluoroethyl)pyrrolidin-2-yl]methyl]-3-(thiadiazol-5-yl)urea?
The IUPAC name of 1-[[1-(2,2-difluoroethyl)pyrrolidin-2-yl]methyl]-3-(thiadiazol-5-yl)urea (CID 138025037) is 1-[[1-(2,2-difluoroethyl)pyrrolidin-2-yl]methyl]-3-(thiadiazol-5-yl)urea.
What is the SMILES notation for 1-[[1-(2,2-difluoroethyl)pyrrolidin-2-yl]methyl]-3-(thiadiazol-5-yl)urea?
The canonical SMILES for 1-[[1-(2,2-difluoroethyl)pyrrolidin-2-yl]methyl]-3-(thiadiazol-5-yl)urea is O=C(NCC1CCCN1CC(F)F)Nc1cnns1.
What is the InChIKey of 1-[[1-(2,2-difluoroethyl)pyrrolidin-2-yl]methyl]-3-(thiadiazol-5-yl)urea?
The InChIKey is GYSZSBCHGUZCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N5OS/c11-8(12)6-17-3-1-2-7(17)4-13-10(18)15-9-5-14-16-19-9/h5,7-8H,1-4,6H2,(H2,13,15,18).
What are the key properties of 1-[[1-(2,2-difluoroethyl)pyrrolidin-2-yl]methyl]-3-(thiadiazol-5-yl)urea?
1-[[1-(2,2-difluoroethyl)pyrrolidin-2-yl]methyl]-3-(thiadiazol-5-yl)urea has a molecular weight of 291.33 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2,2-difluoroethyl)pyrrolidin-2-yl]methyl]-3-(thiadiazol-5-yl)urea is sourced from PubChem (CID 138025037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).