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

C14H18N4OS2 — CID 39176731

IUPAC3-amino-N-[5-[2-(4-methylphenyl)sulfanylethyl]-1,3,4-thiadiazol-2-yl]propanamide
SMILESCc1ccc(SCCc2nnc(NC(=O)CCN)s2)cc1
InChIInChI=1S/C14H18N4OS2/c1-10-2-4-11(5-3-10)20-9-7-13-17-18-14(21-13)16-12(19)6-8-15/h2-5H,6-9,15H2,1H3,(H,16,18,19)
InChIKeyPWOZZDGCHUNYHZ-UHFFFAOYSA-N
MW322.46 g/mol
LogP2.47
Rot. Bonds7

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

3-amino-N-[5-[2-(4-methylphenyl)sulfanylethyl]-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 39176731) has the molecular formula C14H18N4OS2 and a molecular weight of 322.46 g/mol. Its IUPAC name is 3-amino-N-[5-[2-(4-methylphenyl)sulfanylethyl]-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-amino-N-[5-[2-(4-methylphenyl)sulfanylethyl]-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID39176731
Molecular FormulaC14H18N4OS2
Molecular Weight322.46 g/mol
Exact Mass322.09
IUPAC Name3-amino-N-[5-[2-(4-methylphenyl)sulfanylethyl]-1,3,4-thiadiazol-2-yl]propanamide
SMILESCc1ccc(SCCc2nnc(NC(=O)CCN)s2)cc1
InChIInChI=1S/C14H18N4OS2/c1-10-2-4-11(5-3-10)20-9-7-13-17-18-14(21-13)16-12(19)6-8-15/h2-5H,6-9,15H2,1H3,(H,16,18,19)
InChIKeyPWOZZDGCHUNYHZ-UHFFFAOYSA-N
XLogP2.47
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-amino-N-[5-[2-(4-methylphenyl)sulfanylethyl]-1,3,4-thiadiazol-2-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-oxo-4-[[5-(2-phenylsulfanylethyl)-1,3,4-thiadiazol-2-yl]amino]butanoic acid
CID 39187222
3-(4-chlorophenyl)sulfanyl-N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 17193669
4-(4-chlorophenyl)sulfanyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 100552715
2-(4-methylphenyl)sulfanyl-N-[5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 3491218
4-amino-N-[5-[3-(2,4-dimethylphenoxy)propyl]-1,3,4-thiadiazol-2-yl]butanamide
CID 39182914
3-amino-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 119325693
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)acetamide
CID 18198073
2-(4-methylphenyl)sulfanyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 2201339
N-(4-fluoro-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanylpropanamide
CID 7254619
N-[5-[2-[2-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]pentanamide
CID 3881316
3-(4-methoxyphenyl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 51277676
4-(4-methylphenyl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanamide
CID 41086076

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-[2-(4-methylphenyl)sulfanylethyl]-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of 3-amino-N-[5-[2-(4-methylphenyl)sulfanylethyl]-1,3,4-thiadiazol-2-yl]propanamide (CID 39176731) is 3-amino-N-[5-[2-(4-methylphenyl)sulfanylethyl]-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for 3-amino-N-[5-[2-(4-methylphenyl)sulfanylethyl]-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for 3-amino-N-[5-[2-(4-methylphenyl)sulfanylethyl]-1,3,4-thiadiazol-2-yl]propanamide is Cc1ccc(SCCc2nnc(NC(=O)CCN)s2)cc1.
What is the InChIKey of 3-amino-N-[5-[2-(4-methylphenyl)sulfanylethyl]-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is PWOZZDGCHUNYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS2/c1-10-2-4-11(5-3-10)20-9-7-13-17-18-14(21-13)16-12(19)6-8-15/h2-5H,6-9,15H2,1H3,(H,16,18,19).
What are the key properties of 3-amino-N-[5-[2-(4-methylphenyl)sulfanylethyl]-1,3,4-thiadiazol-2-yl]propanamide?
3-amino-N-[5-[2-(4-methylphenyl)sulfanylethyl]-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 322.46 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[5-[2-(4-methylphenyl)sulfanylethyl]-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 39176731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).