2-amino-N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide

C14H18N4O2S — CID 120987607

IUPAC2-amino-N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)Nc1nnc(-c2ccc(C)cc2C)s1
InChIInChI=1S/C14H18N4O2S/c1-8-4-5-10(9(2)6-8)13-17-18-14(21-13)16-12(19)11(15)7-20-3/h4-6,11H,7,15H2,1-3H3,(H,16,18,19)
InChIKeyMUAYYMWUBNAYRC-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.73
Rot. Bonds5

About 2-amino-N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide

2-amino-N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide (PubChem CID 120987607) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-amino-N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide
PubChem CID120987607
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name2-amino-N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)Nc1nnc(-c2ccc(C)cc2C)s1
InChIInChI=1S/C14H18N4O2S/c1-8-4-5-10(9(2)6-8)13-17-18-14(21-13)16-12(19)11(15)7-20-3/h4-6,11H,7,15H2,1-3H3,(H,16,18,19)
InChIKeyMUAYYMWUBNAYRC-UHFFFAOYSA-N
XLogP1.73
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[5-(5-bromo-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide
CID 120989314
2-amino-N-(2,4-dimethylphenyl)-3-methoxypropanamide
CID 81082397
2-amino-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide
CID 120984843
2-amino-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide;hydrochloride
CID 120984842
N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 48585499
(2R,3R)-N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxamide
CID 124863892
(2S)-2-amino-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-4-methylpentanamide
CID 119787265
2-amino-3-methoxy-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride
CID 120989341
2-(4-cyanoanilino)-N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 48627204
2-amino-N-(3,4-dimethylphenyl)-3-methoxypropanamide
CID 81081537
2-amino-3-methoxy-N-(5-methoxy-2-methylphenyl)propanamide
CID 114252735
2-amino-N-(1,3-benzothiazol-2-yl)-3-methoxypropanamide
CID 81081342

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide?
The IUPAC name of 2-amino-N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide (CID 120987607) is 2-amino-N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide is COCC(N)C(=O)Nc1nnc(-c2ccc(C)cc2C)s1.
What is the InChIKey of 2-amino-N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide?
The InChIKey is MUAYYMWUBNAYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-8-4-5-10(9(2)6-8)13-17-18-14(21-13)16-12(19)11(15)7-20-3/h4-6,11H,7,15H2,1-3H3,(H,16,18,19).
What are the key properties of 2-amino-N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide?
2-amino-N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide has a molecular weight of 306.39 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide is sourced from PubChem (CID 120987607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).