1-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-(4-ethoxy-2-fluorophenyl)urea

C13H16FN5O2S — CID 74247125

IUPAC1-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-(4-ethoxy-2-fluorophenyl)urea
SMILESCCOc1ccc(NC(=O)NCCc2nnc(N)s2)c(F)c1
InChIInChI=1S/C13H16FN5O2S/c1-2-21-8-3-4-10(9(14)7-8)17-13(20)16-6-5-11-18-19-12(15)22-11/h3-4,7H,2,5-6H2,1H3,(H2,15,19)(H2,16,17,20)
InChIKeyREZYSDKOCHHINU-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.02
Rot. Bonds6

About 1-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-(4-ethoxy-2-fluorophenyl)urea

1-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-(4-ethoxy-2-fluorophenyl)urea (PubChem CID 74247125) has the molecular formula C13H16FN5O2S and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-(4-ethoxy-2-fluorophenyl)urea.

Molecular Properties

Compound Name1-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-(4-ethoxy-2-fluorophenyl)urea
PubChem CID74247125
Molecular FormulaC13H16FN5O2S
Molecular Weight325.37 g/mol
Exact Mass325.10
IUPAC Name1-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-(4-ethoxy-2-fluorophenyl)urea
SMILESCCOc1ccc(NC(=O)NCCc2nnc(N)s2)c(F)c1
InChIInChI=1S/C13H16FN5O2S/c1-2-21-8-3-4-10(9(14)7-8)17-13(20)16-6-5-11-18-19-12(15)22-11/h3-4,7H,2,5-6H2,1H3,(H2,15,19)(H2,16,17,20)
InChIKeyREZYSDKOCHHINU-UHFFFAOYSA-N
XLogP2.02
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-ethoxy-2-fluorophenyl)-3-[2-(1-ethylbenzimidazol-2-yl)ethyl]urea
CID 72904571
1-(2,5-diethoxyphenyl)-3-(2,4-difluorophenyl)urea
CID 46859658
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-ethoxybenzamide
CID 92659579
1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 60588883
1-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-ethoxy-2-fluorophenyl)urea
CID 97444689
1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-(2-phenylethyl)urea
CID 60588996
2-[(2,4-difluorophenyl)carbamoylamino]-6-ethoxy-1-benzothiophene-3-carboxamide
CID 69447147
1-butyl-3-(2,5-diethoxyphenyl)urea
CID 115569945
1-(4-amino-2-fluorophenyl)-3-(2-methoxyethyl)urea
CID 118069861
4-ethoxy-2-fluoro-N-methylaniline
CID 68515674
N-(2-amino-4-ethoxyphenyl)propanamide
CID 83506350
1-(2-amino-4-methoxyphenyl)-3-propylurea
CID 28785607

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-(4-ethoxy-2-fluorophenyl)urea?
The IUPAC name of 1-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-(4-ethoxy-2-fluorophenyl)urea (CID 74247125) is 1-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-(4-ethoxy-2-fluorophenyl)urea.
What is the SMILES notation for 1-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-(4-ethoxy-2-fluorophenyl)urea?
The canonical SMILES for 1-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-(4-ethoxy-2-fluorophenyl)urea is CCOc1ccc(NC(=O)NCCc2nnc(N)s2)c(F)c1.
What is the InChIKey of 1-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-(4-ethoxy-2-fluorophenyl)urea?
The InChIKey is REZYSDKOCHHINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5O2S/c1-2-21-8-3-4-10(9(14)7-8)17-13(20)16-6-5-11-18-19-12(15)22-11/h3-4,7H,2,5-6H2,1H3,(H2,15,19)(H2,16,17,20).
What are the key properties of 1-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-(4-ethoxy-2-fluorophenyl)urea?
1-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-(4-ethoxy-2-fluorophenyl)urea has a molecular weight of 325.37 g/mol, XLogP of 2.02, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-(4-ethoxy-2-fluorophenyl)urea is sourced from PubChem (CID 74247125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).