5-[(1-pentan-3-ylpyrazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

C11H17N5S2 — CID 64786093

IUPAC5-[(1-pentan-3-ylpyrazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCCC(CC)n1ccc(CSc2nnc(N)s2)n1
InChIInChI=1S/C11H17N5S2/c1-3-9(4-2)16-6-5-8(15-16)7-17-11-14-13-10(12)18-11/h5-6,9H,3-4,7H2,1-2H3,(H2,12,13)
InChIKeyMEBBRLVAXTZTJE-UHFFFAOYSA-N
MW283.43 g/mol
LogP2.97
Rot. Bonds6

About 5-[(1-pentan-3-ylpyrazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

5-[(1-pentan-3-ylpyrazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 64786093) has the molecular formula C11H17N5S2 and a molecular weight of 283.43 g/mol. Its IUPAC name is 5-[(1-pentan-3-ylpyrazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(1-pentan-3-ylpyrazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID64786093
Molecular FormulaC11H17N5S2
Molecular Weight283.43 g/mol
Exact Mass283.09
IUPAC Name5-[(1-pentan-3-ylpyrazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCCC(CC)n1ccc(CSc2nnc(N)s2)n1
InChIInChI=1S/C11H17N5S2/c1-3-9(4-2)16-6-5-8(15-16)7-17-11-14-13-10(12)18-11/h5-6,9H,3-4,7H2,1-2H3,(H2,12,13)
InChIKeyMEBBRLVAXTZTJE-UHFFFAOYSA-N
XLogP2.97
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.43
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(1-pentan-3-ylpyrazol-3-yl)methylsulfanyl]pyrimidine-4,6-diamine
CID 64783969
3-fluoro-4-[(1-pentan-3-ylpyrazol-3-yl)methylsulfanyl]aniline
CID 64785904
5-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 60712716
[4-ethyl-5-[(1-pentan-3-ylpyrazol-3-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine
CID 64785128
2-[(1-pentan-3-ylpyrazol-3-yl)methylsulfanyl]ethanol
CID 64783656
5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 52558692
5-[(3-ethylimidazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 66154530
2-methyl-3-[(1-pentan-3-ylpyrazol-3-yl)methylsulfanyl]propan-1-ol
CID 66105545
ethane;5-propylsulfanyl-1,3,4-thiadiazol-2-amine
CID 142119097
3-(bromomethyl)-1-pentan-3-ylpyrazole
CID 81222884
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 64785884
5-(furan-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 83172117

Frequently Asked Questions

What is the IUPAC name of 5-[(1-pentan-3-ylpyrazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(1-pentan-3-ylpyrazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 64786093) is 5-[(1-pentan-3-ylpyrazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(1-pentan-3-ylpyrazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(1-pentan-3-ylpyrazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is CCC(CC)n1ccc(CSc2nnc(N)s2)n1.
What is the InChIKey of 5-[(1-pentan-3-ylpyrazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is MEBBRLVAXTZTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5S2/c1-3-9(4-2)16-6-5-8(15-16)7-17-11-14-13-10(12)18-11/h5-6,9H,3-4,7H2,1-2H3,(H2,12,13).
What are the key properties of 5-[(1-pentan-3-ylpyrazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
5-[(1-pentan-3-ylpyrazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 283.43 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-pentan-3-ylpyrazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64786093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).