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

C19H25N3O2S — CID 19221296

IUPAC3-(4-tert-butylphenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCC(C)(C)c1ccc(CCC(=O)Nc2nnc(C3CCCO3)s2)cc1
InChIInChI=1S/C19H25N3O2S/c1-19(2,3)14-9-6-13(7-10-14)8-11-16(23)20-18-22-21-17(25-18)15-5-4-12-24-15/h6-7,9-10,15H,4-5,8,11-12H2,1-3H3,(H,20,22,23)
InChIKeyKELIUVSKSWQBBV-UHFFFAOYSA-N
MW359.50 g/mol
LogP4.26
Rot. Bonds5

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

3-(4-tert-butylphenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 19221296) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID19221296
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name3-(4-tert-butylphenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCC(C)(C)c1ccc(CCC(=O)Nc2nnc(C3CCCO3)s2)cc1
InChIInChI=1S/C19H25N3O2S/c1-19(2,3)14-9-6-13(7-10-14)8-11-16(23)20-18-22-21-17(25-18)15-5-4-12-24-15/h6-7,9-10,15H,4-5,8,11-12H2,1-3H3,(H,20,22,23)
InChIKeyKELIUVSKSWQBBV-UHFFFAOYSA-N
XLogP4.26
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
CID 19221058
N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 19183928
4-ethyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 35540422
2-(4-aminophenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 110451756
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
1-[2-methyl-2-[4-(trifluoromethyl)phenyl]propyl]-3-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]urea
CID 146096563
N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-3-(pyrimidin-2-ylamino)propanamide
CID 97263465
2-(4-aminophenyl)-2-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
CID 110451761
2-(4-ethylphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 19178444
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(4-methylphenyl)propanamide
CID 19229276
4-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 39040742

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of 3-(4-tert-butylphenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide (CID 19221296) is 3-(4-tert-butylphenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for 3-(4-tert-butylphenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for 3-(4-tert-butylphenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide is CC(C)(C)c1ccc(CCC(=O)Nc2nnc(C3CCCO3)s2)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is KELIUVSKSWQBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-19(2,3)14-9-6-13(7-10-14)8-11-16(23)20-18-22-21-17(25-18)15-5-4-12-24-15/h6-7,9-10,15H,4-5,8,11-12H2,1-3H3,(H,20,22,23).
What are the key properties of 3-(4-tert-butylphenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide?
3-(4-tert-butylphenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 359.50 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 19221296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).