5-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-6-chloro-1,3-dihydroindol-2-one

C12H9ClN4O2S2 — CID 45494990

IUPAC5-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-6-chloro-1,3-dihydroindol-2-one
SMILESNc1nnc(SCC(=O)c2cc3c(cc2Cl)NC(=O)C3)s1
InChIInChI=1S/C12H9ClN4O2S2/c13-7-3-8-5(2-10(19)15-8)1-6(7)9(18)4-20-12-17-16-11(14)21-12/h1,3H,2,4H2,(H2,14,16)(H,15,19)
InChIKeyXQNZVGLIMIUPRM-UHFFFAOYSA-N
MW340.82 g/mol
LogP2.24
Rot. Bonds4

About 5-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-6-chloro-1,3-dihydroindol-2-one

5-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-6-chloro-1,3-dihydroindol-2-one (PubChem CID 45494990) has the molecular formula C12H9ClN4O2S2 and a molecular weight of 340.82 g/mol. Its IUPAC name is 5-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-6-chloro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-6-chloro-1,3-dihydroindol-2-one
PubChem CID45494990
Molecular FormulaC12H9ClN4O2S2
Molecular Weight340.82 g/mol
Exact Mass339.99
IUPAC Name5-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-6-chloro-1,3-dihydroindol-2-one
SMILESNc1nnc(SCC(=O)c2cc3c(cc2Cl)NC(=O)C3)s1
InChIInChI=1S/C12H9ClN4O2S2/c13-7-3-8-5(2-10(19)15-8)1-6(7)9(18)4-20-12-17-16-11(14)21-12/h1,3H,2,4H2,(H2,14,16)(H,15,19)
InChIKeyXQNZVGLIMIUPRM-UHFFFAOYSA-N
XLogP2.24
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.82
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-6-chloro-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-6-chloro-1,3-dihydroindol-2-one (CID 45494990) is 5-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-6-chloro-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-6-chloro-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-6-chloro-1,3-dihydroindol-2-one is Nc1nnc(SCC(=O)c2cc3c(cc2Cl)NC(=O)C3)s1.
What is the InChIKey of 5-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-6-chloro-1,3-dihydroindol-2-one?
The InChIKey is XQNZVGLIMIUPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O2S2/c13-7-3-8-5(2-10(19)15-8)1-6(7)9(18)4-20-12-17-16-11(14)21-12/h1,3H,2,4H2,(H2,14,16)(H,15,19).
What are the key properties of 5-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-6-chloro-1,3-dihydroindol-2-one?
5-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-6-chloro-1,3-dihydroindol-2-one has a molecular weight of 340.82 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-6-chloro-1,3-dihydroindol-2-one is sourced from PubChem (CID 45494990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).