5-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one

C16H17N5O2S — CID 108809003

IUPAC5-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one
SMILESCc1nnc(N2CCN(C(=O)c3ccc4c(c3)CC(=O)N4)CC2)s1
InChIInChI=1S/C16H17N5O2S/c1-10-18-19-16(24-10)21-6-4-20(5-7-21)15(23)11-2-3-13-12(8-11)9-14(22)17-13/h2-3,8H,4-7,9H2,1H3,(H,17,22)
InChIKeyLQRHUIVDQUFXHB-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.30
Rot. Bonds2

About 5-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one

5-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one (PubChem CID 108809003) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is 5-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one
PubChem CID108809003
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC Name5-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one
SMILESCc1nnc(N2CCN(C(=O)c3ccc4c(c3)CC(=O)N4)CC2)s1
InChIInChI=1S/C16H17N5O2S/c1-10-18-19-16(24-10)21-6-4-20(5-7-21)15(23)11-2-3-13-12(8-11)9-14(22)17-13/h2-3,8H,4-7,9H2,1H3,(H,17,22)
InChIKeyLQRHUIVDQUFXHB-UHFFFAOYSA-N
XLogP1.30
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one with MolForge

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Related Compounds

(4-fluorophenyl)-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone
CID 108753221
5-(thiomorpholine-4-carbonyl)-1,3-dihydroindol-2-one
CID 113225087
2,2-dimethyl-6-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]-3H-chromen-4-one
CID 108729575
5-[4-(6-methylpyridine-2-carbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one
CID 166380387
5-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one
CID 110800434
5-(3,4-dimethylpiperazine-1-carbonyl)-1,3-dihydroindol-2-one
CID 103725306
5-[4-(4-methoxybenzoyl)piperazin-1-yl]-1,3-dihydroindol-2-one
CID 110414687
5-(4-quinolin-2-ylpiperazine-1-carbonyl)-1,3-dihydroindol-2-one
CID 108809070
5-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one
CID 110814055
4-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2,6-dione
CID 102712522
5-[4-methyl-4-(methylamino)piperidine-1-carbonyl]-1,3-dihydroindol-2-one
CID 102711671
5-(4-ethylsulfonyl-1,4-diazepane-1-carbonyl)-1,3-dihydroindol-2-one
CID 110810080

Frequently Asked Questions

What is the IUPAC name of 5-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one (CID 108809003) is 5-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one is Cc1nnc(N2CCN(C(=O)c3ccc4c(c3)CC(=O)N4)CC2)s1.
What is the InChIKey of 5-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one?
The InChIKey is LQRHUIVDQUFXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-10-18-19-16(24-10)21-6-4-20(5-7-21)15(23)11-2-3-13-12(8-11)9-14(22)17-13/h2-3,8H,4-7,9H2,1H3,(H,17,22).
What are the key properties of 5-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one?
5-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one has a molecular weight of 343.41 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 108809003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).