1-[3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]pyrazol-3-amine

C9H13N5S3 — CID 113298612

IUPAC1-[3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]pyrazol-3-amine
SMILESCSc1nnc(SCCCn2ccc(N)n2)s1
InChIInChI=1S/C9H13N5S3/c1-15-8-11-12-9(17-8)16-6-2-4-14-5-3-7(10)13-14/h3,5H,2,4,6H2,1H3,(H2,10,13)
InChIKeyUVBUWDLMGWSMAD-UHFFFAOYSA-N
MW287.44 g/mol
LogP2.22
Rot. Bonds6

About 1-[3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]pyrazol-3-amine

1-[3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]pyrazol-3-amine (PubChem CID 113298612) has the molecular formula C9H13N5S3 and a molecular weight of 287.44 g/mol. Its IUPAC name is 1-[3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]pyrazol-3-amine
PubChem CID113298612
Molecular FormulaC9H13N5S3
Molecular Weight287.44 g/mol
Exact Mass287.03
IUPAC Name1-[3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]pyrazol-3-amine
SMILESCSc1nnc(SCCCn2ccc(N)n2)s1
InChIInChI=1S/C9H13N5S3/c1-15-8-11-12-9(17-8)16-6-2-4-14-5-3-7(10)13-14/h3,5H,2,4,6H2,1H3,(H2,10,13)
InChIKeyUVBUWDLMGWSMAD-UHFFFAOYSA-N
XLogP2.22
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.44
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]pyrazol-3-amine
CID 63315822
5-[2-(3-aminopyrazol-1-yl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63736775
1-(3-thiophen-2-ylsulfanylpropyl)pyrazol-3-amine
CID 63311120
1-[3-(4-methylsulfonylphenyl)sulfanylpropyl]pyrazol-3-amine
CID 63311076
2-(3-bromopropylsulfanyl)-5-methylsulfanyl-1,3,4-thiadiazole
CID 115382657
N-[4-[3-(3-aminopyrazol-1-yl)propylsulfanyl]phenyl]acetamide
CID 63310941
3-[3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]aniline
CID 113384454
1-[3-(1-cyclopentyltetrazol-5-yl)sulfanylpropyl]pyrazol-3-amine
CID 63310896
1-[3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propyl]pyrazol-3-amine
CID 63311425
1-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propyl]pyrazol-3-amine
CID 115478402
ethyl 2-[3-(3-aminopyrazol-1-yl)propylsulfanyl]acetate
CID 63311296
1-[2-(4-fluorophenyl)sulfanylethyl]pyrazol-3-amine
CID 63315951

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]pyrazol-3-amine?
The IUPAC name of 1-[3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]pyrazol-3-amine (CID 113298612) is 1-[3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]pyrazol-3-amine.
What is the SMILES notation for 1-[3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]pyrazol-3-amine?
The canonical SMILES for 1-[3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]pyrazol-3-amine is CSc1nnc(SCCCn2ccc(N)n2)s1.
What is the InChIKey of 1-[3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]pyrazol-3-amine?
The InChIKey is UVBUWDLMGWSMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5S3/c1-15-8-11-12-9(17-8)16-6-2-4-14-5-3-7(10)13-14/h3,5H,2,4,6H2,1H3,(H2,10,13).
What are the key properties of 1-[3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]pyrazol-3-amine?
1-[3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]pyrazol-3-amine has a molecular weight of 287.44 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]pyrazol-3-amine is sourced from PubChem (CID 113298612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).