5-(4-propan-2-ylthiadiazol-5-yl)-1,3,4-thiadiazol-2-amine

C7H9N5S2 — CID 65204130

IUPAC5-(4-propan-2-ylthiadiazol-5-yl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)c1nnsc1-c1nnc(N)s1
InChIInChI=1S/C7H9N5S2/c1-3(2)4-5(14-12-9-4)6-10-11-7(8)13-6/h3H,1-2H3,(H2,8,11)
InChIKeyAYBMFFZEGWHYOH-UHFFFAOYSA-N
MW227.32 g/mol
LogP1.76
Rot. Bonds2

About 5-(4-propan-2-ylthiadiazol-5-yl)-1,3,4-thiadiazol-2-amine

5-(4-propan-2-ylthiadiazol-5-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 65204130) has the molecular formula C7H9N5S2 and a molecular weight of 227.32 g/mol. Its IUPAC name is 5-(4-propan-2-ylthiadiazol-5-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(4-propan-2-ylthiadiazol-5-yl)-1,3,4-thiadiazol-2-amine
PubChem CID65204130
Molecular FormulaC7H9N5S2
Molecular Weight227.32 g/mol
Exact Mass227.03
IUPAC Name5-(4-propan-2-ylthiadiazol-5-yl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)c1nnsc1-c1nnc(N)s1
InChIInChI=1S/C7H9N5S2/c1-3(2)4-5(14-12-9-4)6-10-11-7(8)13-6/h3H,1-2H3,(H2,8,11)
InChIKeyAYBMFFZEGWHYOH-UHFFFAOYSA-N
XLogP1.76
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.32
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(4-propan-2-ylthiadiazol-5-yl)-1,3,4-thiadiazol-2-amine 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

5-(4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82433506
5-(2-tert-butyl-4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82434646
5-[2-[(dimethylamino)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82435187
5-(4-propan-2-ylthiadiazol-5-yl)-1,3,4-oxadiazol-2-amine
CID 65204856
5-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82438371
5-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82432451
2-(1-chloroethyl)-5-(4-propan-2-ylthiadiazol-5-yl)-1,3,4-oxadiazole
CID 65204654
5-(4-methyl-2-pentan-3-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82426676
5-[2-(diethylamino)-4-methyl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82427843
5-ethyl-4-propan-2-ylthiadiazole
CID 67890638
5-tert-butyl-4-propan-2-ylthiadiazole
CID 67889932
5-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82425677

Frequently Asked Questions

What is the IUPAC name of 5-(4-propan-2-ylthiadiazol-5-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(4-propan-2-ylthiadiazol-5-yl)-1,3,4-thiadiazol-2-amine (CID 65204130) is 5-(4-propan-2-ylthiadiazol-5-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(4-propan-2-ylthiadiazol-5-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(4-propan-2-ylthiadiazol-5-yl)-1,3,4-thiadiazol-2-amine is CC(C)c1nnsc1-c1nnc(N)s1.
What is the InChIKey of 5-(4-propan-2-ylthiadiazol-5-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is AYBMFFZEGWHYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5S2/c1-3(2)4-5(14-12-9-4)6-10-11-7(8)13-6/h3H,1-2H3,(H2,8,11).
What are the key properties of 5-(4-propan-2-ylthiadiazol-5-yl)-1,3,4-thiadiazol-2-amine?
5-(4-propan-2-ylthiadiazol-5-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 227.32 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propan-2-ylthiadiazol-5-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 65204130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).