1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea

C15H17N5O3S2 — CID 72875441

IUPAC1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
SMILESCc1nnc(SCCNC(=O)Nc2ccccc2N2CCOC2=O)s1
InChIInChI=1S/C15H17N5O3S2/c1-10-18-19-14(25-10)24-9-6-16-13(21)17-11-4-2-3-5-12(11)20-7-8-23-15(20)22/h2-5H,6-9H2,1H3,(H2,16,17,21)
InChIKeyCRPOUNKVAJOZSJ-UHFFFAOYSA-N
MW379.47 g/mol
LogP2.72
Rot. Bonds6

About 1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea

1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea (PubChem CID 72875441) has the molecular formula C15H17N5O3S2 and a molecular weight of 379.47 g/mol. Its IUPAC name is 1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
PubChem CID72875441
Molecular FormulaC15H17N5O3S2
Molecular Weight379.47 g/mol
Exact Mass379.08
IUPAC Name1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
SMILESCc1nnc(SCCNC(=O)Nc2ccccc2N2CCOC2=O)s1
InChIInChI=1S/C15H17N5O3S2/c1-10-18-19-14(25-10)24-9-6-16-13(21)17-11-4-2-3-5-12(11)20-7-8-23-15(20)22/h2-5H,6-9H2,1H3,(H2,16,17,21)
InChIKeyCRPOUNKVAJOZSJ-UHFFFAOYSA-N
XLogP2.72
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1,3-benzodioxol-5-yl)-3-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]urea
CID 72843577
3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 4105913
N-(2-aminophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 60875606
2-[2-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethene-1,1,2-tricarbonitrile
CID 168609625
(2Z,4E)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]hexa-2,4-dienamide
CID 99927510
1,3-dimethyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-2,6-dioxopyrimidine-4-carboxamide
CID 72869883
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
CID 167878865
(3R)-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 97268778
N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide
CID 77085866
1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
CID 118780664
2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 46667553
3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylpropanamide
CID 714643

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea?
The IUPAC name of 1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea (CID 72875441) is 1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea.
What is the SMILES notation for 1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea?
The canonical SMILES for 1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea is Cc1nnc(SCCNC(=O)Nc2ccccc2N2CCOC2=O)s1.
What is the InChIKey of 1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea?
The InChIKey is CRPOUNKVAJOZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3S2/c1-10-18-19-14(25-10)24-9-6-16-13(21)17-11-4-2-3-5-12(11)20-7-8-23-15(20)22/h2-5H,6-9H2,1H3,(H2,16,17,21).
What are the key properties of 1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea?
1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea has a molecular weight of 379.47 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea is sourced from PubChem (CID 72875441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).