1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea

C10H13N5O2S — CID 154839750

IUPAC1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
SMILESCCc1cnc(CNC(=O)Nc2nnc(C)s2)o1
InChIInChI=1S/C10H13N5O2S/c1-3-7-4-11-8(17-7)5-12-9(16)13-10-15-14-6(2)18-10/h4H,3,5H2,1-2H3,(H2,12,13,15,16)
InChIKeyVRYGWXHTNIOZBX-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.72
Rot. Bonds4

About 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea

1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea (PubChem CID 154839750) has the molecular formula C10H13N5O2S and a molecular weight of 267.31 g/mol. Its IUPAC name is 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
PubChem CID154839750
Molecular FormulaC10H13N5O2S
Molecular Weight267.31 g/mol
Exact Mass267.08
IUPAC Name1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
SMILESCCc1cnc(CNC(=O)Nc2nnc(C)s2)o1
InChIInChI=1S/C10H13N5O2S/c1-3-7-4-11-8(17-7)5-12-9(16)13-10-15-14-6(2)18-10/h4H,3,5H2,1-2H3,(H2,12,13,15,16)
InChIKeyVRYGWXHTNIOZBX-UHFFFAOYSA-N
XLogP1.72
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea with MolForge

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Related Compounds

1-(4-aminophenyl)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]urea
CID 106373291
1-ethyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 21417198
2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid
CID 106374246
2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]benzoic acid
CID 106373959
3-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-5-methyl-1H-pyrrole-2-carboxylic acid
CID 106374332
5-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]thiophene-2-carboxamide
CID 104935632
2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]butanediamide
CID 106370829
(2R)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-4-methylpentanoic acid
CID 106374056
(2S)-2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106371001
2-(4-aminophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide
CID 106368469
2-(2-aminoethyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 106371235
2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 106378320

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea (CID 154839750) is 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea is CCc1cnc(CNC(=O)Nc2nnc(C)s2)o1.
What is the InChIKey of 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea?
The InChIKey is VRYGWXHTNIOZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S/c1-3-7-4-11-8(17-7)5-12-9(16)13-10-15-14-6(2)18-10/h4H,3,5H2,1-2H3,(H2,12,13,15,16).
What are the key properties of 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea?
1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea has a molecular weight of 267.31 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 154839750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).