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

C19H27N3O2S — CID 3212659

IUPACN-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)-2-methylpropanamide
SMILESCOCCN(C(=O)C(C)C)c1nnc(-c2ccc(C(C)(C)C)cc2)s1
InChIInChI=1S/C19H27N3O2S/c1-13(2)17(23)22(11-12-24-6)18-21-20-16(25-18)14-7-9-15(10-8-14)19(3,4)5/h7-10,13H,11-12H2,1-6H3
InChIKeyOIEWQBLQBVBKQU-UHFFFAOYSA-N
MW361.51 g/mol
LogP4.14
Rot. Bonds6

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

N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)-2-methylpropanamide (PubChem CID 3212659) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)-2-methylpropanamide
PubChem CID3212659
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC NameN-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)-2-methylpropanamide
SMILESCOCCN(C(=O)C(C)C)c1nnc(-c2ccc(C(C)(C)C)cc2)s1
InChIInChI=1S/C19H27N3O2S/c1-13(2)17(23)22(11-12-24-6)18-21-20-16(25-18)14-7-9-15(10-8-14)19(3,4)5/h7-10,13H,11-12H2,1-6H3
InChIKeyOIEWQBLQBVBKQU-UHFFFAOYSA-N
XLogP4.14
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-Cyclopentyl-N-(5-p-tolyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 1444816
N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-2-methoxyacetamide
CID 1451433
N-(2-Methoxy-ethyl)-N-(5-m-tolyl-[1,3,4]thiadiazol-2-yl)-isobutyramide
CID 652198
N-(2-methoxyethyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 3230576
N-Cyclopentyl-N-(5-m-tolyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 1444777
Cyclopropanecarboxylic acid (2-methoxy-ethyl)-(5-m-tolyl-[1,3,4]thiadiazol-2-yl)-amide
CID 653963
N-(2-Methoxy-ethyl)-N-(5-p-tolyl-[1,3,4]thiadiazol-2-yl)-isobutyramide
CID 3212634
N-(2-methoxyethyl)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 3212635
N-cyclopentyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 1444702
N-ethyl-3-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 1444715
N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylcyclobutanecarboxamide
CID 1444815
N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-propylcyclobutanecarboxamide
CID 1444836

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)-2-methylpropanamide?
The IUPAC name of N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)-2-methylpropanamide (CID 3212659) is N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)-2-methylpropanamide.
What is the SMILES notation for N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)-2-methylpropanamide?
The canonical SMILES for N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)-2-methylpropanamide is COCCN(C(=O)C(C)C)c1nnc(-c2ccc(C(C)(C)C)cc2)s1.
What is the InChIKey of N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)-2-methylpropanamide?
The InChIKey is OIEWQBLQBVBKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S/c1-13(2)17(23)22(11-12-24-6)18-21-20-16(25-18)14-7-9-15(10-8-14)19(3,4)5/h7-10,13H,11-12H2,1-6H3.
What are the key properties of N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)-2-methylpropanamide?
N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)-2-methylpropanamide has a molecular weight of 361.51 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)-2-methylpropanamide is sourced from PubChem (CID 3212659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).