5-[(5-nitro-1,3-thiazol-2-yl)sulfinyl]-1,3,4-thiadiazol-2-amine

C5H3N5O3S3 — CID 170455819

IUPAC5-[(5-nitro-1,3-thiazol-2-yl)sulfinyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(S(=O)c2ncc([N+](=O)[O-])s2)s1
InChIInChI=1S/C5H3N5O3S3/c6-3-8-9-5(15-3)16(13)4-7-1-2(14-4)10(11)12/h1H,(H2,6,8)
InChIKeyUAMKFJLDAYBAAU-UHFFFAOYSA-N
MW277.31 g/mol
LogP0.65
Rot. Bonds3

About 5-[(5-nitro-1,3-thiazol-2-yl)sulfinyl]-1,3,4-thiadiazol-2-amine

5-[(5-nitro-1,3-thiazol-2-yl)sulfinyl]-1,3,4-thiadiazol-2-amine (PubChem CID 170455819) has the molecular formula C5H3N5O3S3 and a molecular weight of 277.31 g/mol. Its IUPAC name is 5-[(5-nitro-1,3-thiazol-2-yl)sulfinyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(5-nitro-1,3-thiazol-2-yl)sulfinyl]-1,3,4-thiadiazol-2-amine
PubChem CID170455819
Molecular FormulaC5H3N5O3S3
Molecular Weight277.31 g/mol
Exact Mass276.94
IUPAC Name5-[(5-nitro-1,3-thiazol-2-yl)sulfinyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(S(=O)c2ncc([N+](=O)[O-])s2)s1
InChIInChI=1S/C5H3N5O3S3/c6-3-8-9-5(15-3)16(13)4-7-1-2(14-4)10(11)12/h1H,(H2,6,8)
InChIKeyUAMKFJLDAYBAAU-UHFFFAOYSA-N
XLogP0.65
TPSA124.90 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-nitro-1,3-thiazol-2-yl)sulfinyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(5-nitro-1,3-thiazol-2-yl)sulfinyl]-1,3,4-thiadiazol-2-amine (CID 170455819) is 5-[(5-nitro-1,3-thiazol-2-yl)sulfinyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(5-nitro-1,3-thiazol-2-yl)sulfinyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(5-nitro-1,3-thiazol-2-yl)sulfinyl]-1,3,4-thiadiazol-2-amine is Nc1nnc(S(=O)c2ncc([N+](=O)[O-])s2)s1.
What is the InChIKey of 5-[(5-nitro-1,3-thiazol-2-yl)sulfinyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is UAMKFJLDAYBAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3N5O3S3/c6-3-8-9-5(15-3)16(13)4-7-1-2(14-4)10(11)12/h1H,(H2,6,8).
What are the key properties of 5-[(5-nitro-1,3-thiazol-2-yl)sulfinyl]-1,3,4-thiadiazol-2-amine?
5-[(5-nitro-1,3-thiazol-2-yl)sulfinyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 277.31 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-nitro-1,3-thiazol-2-yl)sulfinyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 170455819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).