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

C13H16N4OS — CID 119325693

IUPAC3-amino-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCc1cc(C)cc(-c2nnc(NC(=O)CCN)s2)c1
InChIInChI=1S/C13H16N4OS/c1-8-5-9(2)7-10(6-8)12-16-17-13(19-12)15-11(18)3-4-14/h5-7H,3-4,14H2,1-2H3,(H,15,17,18)
InChIKeyQXOJOBQXNKVZOI-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.11
Rot. Bonds4

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

3-amino-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 119325693) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 3-amino-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-amino-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID119325693
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name3-amino-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCc1cc(C)cc(-c2nnc(NC(=O)CCN)s2)c1
InChIInChI=1S/C13H16N4OS/c1-8-5-9(2)7-10(6-8)12-16-17-13(19-12)15-11(18)3-4-14/h5-7H,3-4,14H2,1-2H3,(H,15,17,18)
InChIKeyQXOJOBQXNKVZOI-UHFFFAOYSA-N
XLogP2.11
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 82176854
N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119787258
N-[5-(3-amino-4-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 82176867
(2S)-2-amino-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-4-methylpentanamide
CID 119787265
4-(aminomethyl)-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]oxane-4-carboxamide;hydrochloride
CID 120932965
2-(4-chlorophenyl)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100533988
N-[5-(3-amino-4-methylphenyl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide
CID 82176862
3-benzylsulfanyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 100556333
3-amino-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
CID 119274458
N-[3-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]pentanamide
CID 3471937
3-(2,4-dimethylphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 24649218
3-amino-N-[5-[2-(4-methylphenyl)sulfanylethyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 39176731

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of 3-amino-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]propanamide (CID 119325693) is 3-amino-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for 3-amino-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for 3-amino-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]propanamide is Cc1cc(C)cc(-c2nnc(NC(=O)CCN)s2)c1.
What is the InChIKey of 3-amino-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is QXOJOBQXNKVZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-8-5-9(2)7-10(6-8)12-16-17-13(19-12)15-11(18)3-4-14/h5-7H,3-4,14H2,1-2H3,(H,15,17,18).
What are the key properties of 3-amino-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]propanamide?
3-amino-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 276.37 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 119325693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).