5-(1H-1,2,4-triazol-5-ylsulfonyl)-1,3-thiazol-2-amine

C5H5N5O2S2 — CID 54387352

IUPAC5-(1H-1,2,4-triazol-5-ylsulfonyl)-1,3-thiazol-2-amine
SMILESNc1ncc(S(=O)(=O)c2ncn[nH]2)s1
InChIInChI=1S/C5H5N5O2S2/c6-4-7-1-3(13-4)14(11,12)5-8-2-9-10-5/h1-2H,(H2,6,7)(H,8,9,10)
InChIKeyVEEDRIAMSXDPSN-UHFFFAOYSA-N
MW231.26 g/mol
LogP-0.32
Rot. Bonds2

About 5-(1H-1,2,4-triazol-5-ylsulfonyl)-1,3-thiazol-2-amine

5-(1H-1,2,4-triazol-5-ylsulfonyl)-1,3-thiazol-2-amine (PubChem CID 54387352) has the molecular formula C5H5N5O2S2 and a molecular weight of 231.26 g/mol. Its IUPAC name is 5-(1H-1,2,4-triazol-5-ylsulfonyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(1H-1,2,4-triazol-5-ylsulfonyl)-1,3-thiazol-2-amine
PubChem CID54387352
Molecular FormulaC5H5N5O2S2
Molecular Weight231.26 g/mol
Exact Mass230.99
IUPAC Name5-(1H-1,2,4-triazol-5-ylsulfonyl)-1,3-thiazol-2-amine
SMILESNc1ncc(S(=O)(=O)c2ncn[nH]2)s1
InChIInChI=1S/C5H5N5O2S2/c6-4-7-1-3(13-4)14(11,12)5-8-2-9-10-5/h1-2H,(H2,6,7)(H,8,9,10)
InChIKeyVEEDRIAMSXDPSN-UHFFFAOYSA-N
XLogP-0.32
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-1,2,4-triazol-5-ylsulfonyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(1H-1,2,4-triazol-5-ylsulfonyl)-1,3-thiazol-2-amine (CID 54387352) is 5-(1H-1,2,4-triazol-5-ylsulfonyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(1H-1,2,4-triazol-5-ylsulfonyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(1H-1,2,4-triazol-5-ylsulfonyl)-1,3-thiazol-2-amine is Nc1ncc(S(=O)(=O)c2ncn[nH]2)s1.
What is the InChIKey of 5-(1H-1,2,4-triazol-5-ylsulfonyl)-1,3-thiazol-2-amine?
The InChIKey is VEEDRIAMSXDPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5O2S2/c6-4-7-1-3(13-4)14(11,12)5-8-2-9-10-5/h1-2H,(H2,6,7)(H,8,9,10).
What are the key properties of 5-(1H-1,2,4-triazol-5-ylsulfonyl)-1,3-thiazol-2-amine?
5-(1H-1,2,4-triazol-5-ylsulfonyl)-1,3-thiazol-2-amine has a molecular weight of 231.26 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-1,2,4-triazol-5-ylsulfonyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 54387352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).