1-(1-fluoropropan-2-yl)-3-(thiadiazol-5-yl)urea

C6H9FN4OS — CID 130679934

IUPAC1-(1-fluoropropan-2-yl)-3-(thiadiazol-5-yl)urea
SMILESCC(CF)NC(=O)Nc1cnns1
InChIInChI=1S/C6H9FN4OS/c1-4(2-7)9-6(12)10-5-3-8-11-13-5/h3-4H,2H2,1H3,(H2,9,10,12)
InChIKeyCJDAKEFKYYJBTP-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.02
Rot. Bonds3

About 1-(1-fluoropropan-2-yl)-3-(thiadiazol-5-yl)urea

1-(1-fluoropropan-2-yl)-3-(thiadiazol-5-yl)urea (PubChem CID 130679934) has the molecular formula C6H9FN4OS and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-(1-fluoropropan-2-yl)-3-(thiadiazol-5-yl)urea.

Molecular Properties

Compound Name1-(1-fluoropropan-2-yl)-3-(thiadiazol-5-yl)urea
PubChem CID130679934
Molecular FormulaC6H9FN4OS
Molecular Weight204.23 g/mol
Exact Mass204.05
IUPAC Name1-(1-fluoropropan-2-yl)-3-(thiadiazol-5-yl)urea
SMILESCC(CF)NC(=O)Nc1cnns1
InChIInChI=1S/C6H9FN4OS/c1-4(2-7)9-6(12)10-5-3-8-11-13-5/h3-4H,2H2,1H3,(H2,9,10,12)
InChIKeyCJDAKEFKYYJBTP-UHFFFAOYSA-N
XLogP1.02
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Methoxyethyl)-3-(thiadiazol-5-yl)urea
CID 118947625
N-1,2,3-Thiadiazol-5-ylurea
CID 18352222
1-Ethyl-1-methyl-3-(thiadiazol-5-yl)urea
CID 86807489
1-Butyl-1-ethyl-3-(thiadiazol-5-yl)urea
CID 99836113
1-(2-Propylcyclopropyl)-3-(thiadiazol-5-yl)urea
CID 119049279
N-Cyclohexyl-N'-1,2,3-thiadiazol-5-ylurea
CID 13729971
N-Cyclopentyl-N'-1,2,3-thiadiazol-5-ylurea
CID 23044826
1-(Thiadiazol-5-yl)-3-(2,2,2-trifluoroethyl)urea
CID 107649831
3,3-difluoro-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide
CID 128069727
3-fluoro-3-methyl-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide
CID 128069969
1-(2-Fluoroethyl)-3-(thiadiazol-5-yl)urea
CID 130668369
1-(2,2-Difluoroethyl)-1-methyl-3-(thiadiazol-5-yl)urea
CID 132297949

Frequently Asked Questions

What is the IUPAC name of 1-(1-fluoropropan-2-yl)-3-(thiadiazol-5-yl)urea?
The IUPAC name of 1-(1-fluoropropan-2-yl)-3-(thiadiazol-5-yl)urea (CID 130679934) is 1-(1-fluoropropan-2-yl)-3-(thiadiazol-5-yl)urea.
What is the SMILES notation for 1-(1-fluoropropan-2-yl)-3-(thiadiazol-5-yl)urea?
The canonical SMILES for 1-(1-fluoropropan-2-yl)-3-(thiadiazol-5-yl)urea is CC(CF)NC(=O)Nc1cnns1.
What is the InChIKey of 1-(1-fluoropropan-2-yl)-3-(thiadiazol-5-yl)urea?
The InChIKey is CJDAKEFKYYJBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN4OS/c1-4(2-7)9-6(12)10-5-3-8-11-13-5/h3-4H,2H2,1H3,(H2,9,10,12).
What are the key properties of 1-(1-fluoropropan-2-yl)-3-(thiadiazol-5-yl)urea?
1-(1-fluoropropan-2-yl)-3-(thiadiazol-5-yl)urea has a molecular weight of 204.23 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluoropropan-2-yl)-3-(thiadiazol-5-yl)urea is sourced from PubChem (CID 130679934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).