2-(4-aminophenyl)-2-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide

C16H20N4O2S — CID 110451761

IUPAC2-(4-aminophenyl)-2-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCC(C)(C(=O)Nc1nnc(C2CCCO2)s1)c1ccc(N)cc1
InChIInChI=1S/C16H20N4O2S/c1-16(2,10-5-7-11(17)8-6-10)14(21)18-15-20-19-13(23-15)12-4-3-9-22-12/h5-8,12H,3-4,9,17H2,1-2H3,(H,18,20,21)
InChIKeyLHIFNZJIZVRFIU-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.89
Rot. Bonds4

About 2-(4-aminophenyl)-2-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide

2-(4-aminophenyl)-2-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 110451761) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-(4-aminophenyl)-2-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-2-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID110451761
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name2-(4-aminophenyl)-2-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCC(C)(C(=O)Nc1nnc(C2CCCO2)s1)c1ccc(N)cc1
InChIInChI=1S/C16H20N4O2S/c1-16(2,10-5-7-11(17)8-6-10)14(21)18-15-20-19-13(23-15)12-4-3-9-22-12/h5-8,12H,3-4,9,17H2,1-2H3,(H,18,20,21)
InChIKeyLHIFNZJIZVRFIU-UHFFFAOYSA-N
XLogP2.89
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 110451756
4-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 39040742
3-(4-tert-butylphenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
CID 19221296
N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 734593
1-[2-methyl-2-[4-(trifluoromethyl)phenyl]propyl]-3-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]urea
CID 146096563
4-ethyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 35540422
(2S)-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
CID 35570023
N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
CID 45154366
2-(4-aminophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide
CID 82546736
(E)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]but-2-enamide
CID 110459746
3-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide
CID 16876533
3-methyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]butanamide
CID 42335736

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-2-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of 2-(4-aminophenyl)-2-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide (CID 110451761) is 2-(4-aminophenyl)-2-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for 2-(4-aminophenyl)-2-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for 2-(4-aminophenyl)-2-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide is CC(C)(C(=O)Nc1nnc(C2CCCO2)s1)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-2-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is LHIFNZJIZVRFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-16(2,10-5-7-11(17)8-6-10)14(21)18-15-20-19-13(23-15)12-4-3-9-22-12/h5-8,12H,3-4,9,17H2,1-2H3,(H,18,20,21).
What are the key properties of 2-(4-aminophenyl)-2-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide?
2-(4-aminophenyl)-2-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 332.43 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-2-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 110451761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).