(NZ)-N-[(1R)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-dihydroinden-2-ylidene]hydroxylamine

C12H11N3OS2 — CID 27089074

IUPAC(NZ)-N-[(1R)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-dihydroinden-2-ylidene]hydroxylamine
SMILESCc1nnc(S[C@H]2/C(=N\O)Cc3ccccc32)s1
InChIInChI=1S/C12H11N3OS2/c1-7-13-14-12(17-7)18-11-9-5-3-2-4-8(9)6-10(11)15-16/h2-5,11,16H,6H2,1H3/b15-10-/t11-/m1/s1
InChIKeyOSTHXOIZQRBQSE-MKVLZVNKSA-N
MW277.37 g/mol
LogP3.07
Rot. Bonds2

About (NZ)-N-[(1R)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-dihydroinden-2-ylidene]hydroxylamine

(NZ)-N-[(1R)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-dihydroinden-2-ylidene]hydroxylamine (PubChem CID 27089074) has the molecular formula C12H11N3OS2 and a molecular weight of 277.37 g/mol. Its IUPAC name is (NZ)-N-[(1R)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-dihydroinden-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(1R)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-dihydroinden-2-ylidene]hydroxylamine
PubChem CID27089074
Molecular FormulaC12H11N3OS2
Molecular Weight277.37 g/mol
Exact Mass277.03
IUPAC Name(NZ)-N-[(1R)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-dihydroinden-2-ylidene]hydroxylamine
SMILESCc1nnc(S[C@H]2/C(=N\O)Cc3ccccc32)s1
InChIInChI=1S/C12H11N3OS2/c1-7-13-14-12(17-7)18-11-9-5-3-2-4-8(9)6-10(11)15-16/h2-5,11,16H,6H2,1H3/b15-10-/t11-/m1/s1
InChIKeyOSTHXOIZQRBQSE-MKVLZVNKSA-N
XLogP3.07
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 (NZ)-N-[(1R)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-dihydroinden-2-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(1R)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-dihydroinden-2-ylidene]hydroxylamine (CID 27089074) is (NZ)-N-[(1R)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-dihydroinden-2-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(1R)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-dihydroinden-2-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(1R)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-dihydroinden-2-ylidene]hydroxylamine is Cc1nnc(S[C@H]2/C(=N\O)Cc3ccccc32)s1.
What is the InChIKey of (NZ)-N-[(1R)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-dihydroinden-2-ylidene]hydroxylamine?
The InChIKey is OSTHXOIZQRBQSE-MKVLZVNKSA-N. The full InChI is InChI=1S/C12H11N3OS2/c1-7-13-14-12(17-7)18-11-9-5-3-2-4-8(9)6-10(11)15-16/h2-5,11,16H,6H2,1H3/b15-10-/t11-/m1/s1.
What are the key properties of (NZ)-N-[(1R)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-dihydroinden-2-ylidene]hydroxylamine?
(NZ)-N-[(1R)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-dihydroinden-2-ylidene]hydroxylamine has a molecular weight of 277.37 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(1R)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-dihydroinden-2-ylidene]hydroxylamine is sourced from PubChem (CID 27089074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).