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

C10H15N5S2 — CID 62188642

IUPAC4-[(1-methylpyrazol-4-yl)sulfanylmethyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CSc1cnn(C)c1
InChIInChI=1S/C10H15N5S2/c1-3-4-11-10-9(13-14-17-10)7-16-8-5-12-15(2)6-8/h5-6,11H,3-4,7H2,1-2H3
InChIKeyZNHIJHKGSGMCNI-UHFFFAOYSA-N
MW269.40 g/mol
LogP2.39
Rot. Bonds6

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

4-[(1-methylpyrazol-4-yl)sulfanylmethyl]-N-propylthiadiazol-5-amine (PubChem CID 62188642) has the molecular formula C10H15N5S2 and a molecular weight of 269.40 g/mol. Its IUPAC name is 4-[(1-methylpyrazol-4-yl)sulfanylmethyl]-N-propylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[(1-methylpyrazol-4-yl)sulfanylmethyl]-N-propylthiadiazol-5-amine
PubChem CID62188642
Molecular FormulaC10H15N5S2
Molecular Weight269.40 g/mol
Exact Mass269.08
IUPAC Name4-[(1-methylpyrazol-4-yl)sulfanylmethyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CSc1cnn(C)c1
InChIInChI=1S/C10H15N5S2/c1-3-4-11-10-9(13-14-17-10)7-16-8-5-12-15(2)6-8/h5-6,11H,3-4,7H2,1-2H3
InChIKeyZNHIJHKGSGMCNI-UHFFFAOYSA-N
XLogP2.39
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.40
LogP ≤ 52.39
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]-N-propylthiadiazol-5-amine?
The IUPAC name of 4-[(1-methylpyrazol-4-yl)sulfanylmethyl]-N-propylthiadiazol-5-amine (CID 62188642) is 4-[(1-methylpyrazol-4-yl)sulfanylmethyl]-N-propylthiadiazol-5-amine.
What is the SMILES notation for 4-[(1-methylpyrazol-4-yl)sulfanylmethyl]-N-propylthiadiazol-5-amine?
The canonical SMILES for 4-[(1-methylpyrazol-4-yl)sulfanylmethyl]-N-propylthiadiazol-5-amine is CCCNc1snnc1CSc1cnn(C)c1.
What is the InChIKey of 4-[(1-methylpyrazol-4-yl)sulfanylmethyl]-N-propylthiadiazol-5-amine?
The InChIKey is ZNHIJHKGSGMCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5S2/c1-3-4-11-10-9(13-14-17-10)7-16-8-5-12-15(2)6-8/h5-6,11H,3-4,7H2,1-2H3.
What are the key properties of 4-[(1-methylpyrazol-4-yl)sulfanylmethyl]-N-propylthiadiazol-5-amine?
4-[(1-methylpyrazol-4-yl)sulfanylmethyl]-N-propylthiadiazol-5-amine has a molecular weight of 269.40 g/mol, XLogP of 2.39, 6 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]-N-propylthiadiazol-5-amine is sourced from PubChem (CID 62188642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).