4-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiadiazol-5-amine

C7H9N5S2 — CID 62187928

IUPAC4-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiadiazol-5-amine
SMILESCn1cc(SCc2nnsc2N)cn1
InChIInChI=1S/C7H9N5S2/c1-12-3-5(2-9-12)13-4-6-7(8)14-11-10-6/h2-3H,4,8H2,1H3
InChIKeyNYYMEYPCUPOUBL-UHFFFAOYSA-N
MW227.32 g/mol
LogP1.15
Rot. Bonds3

About 4-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiadiazol-5-amine

4-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiadiazol-5-amine (PubChem CID 62187928) has the molecular formula C7H9N5S2 and a molecular weight of 227.32 g/mol. Its IUPAC name is 4-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiadiazol-5-amine.

Molecular Properties

Compound Name4-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiadiazol-5-amine
PubChem CID62187928
Molecular FormulaC7H9N5S2
Molecular Weight227.32 g/mol
Exact Mass227.03
IUPAC Name4-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiadiazol-5-amine
SMILESCn1cc(SCc2nnsc2N)cn1
InChIInChI=1S/C7H9N5S2/c1-12-3-5(2-9-12)13-4-6-7(8)14-11-10-6/h2-3H,4,8H2,1H3
InChIKeyNYYMEYPCUPOUBL-UHFFFAOYSA-N
XLogP1.15
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.32
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiadiazol-5-amine?
The IUPAC name of 4-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiadiazol-5-amine (CID 62187928) is 4-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiadiazol-5-amine.
What is the SMILES notation for 4-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiadiazol-5-amine?
The canonical SMILES for 4-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiadiazol-5-amine is Cn1cc(SCc2nnsc2N)cn1.
What is the InChIKey of 4-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiadiazol-5-amine?
The InChIKey is NYYMEYPCUPOUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5S2/c1-12-3-5(2-9-12)13-4-6-7(8)14-11-10-6/h2-3H,4,8H2,1H3.
What are the key properties of 4-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiadiazol-5-amine?
4-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiadiazol-5-amine has a molecular weight of 227.32 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiadiazol-5-amine is sourced from PubChem (CID 62187928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).