[4-(4-methoxyphenyl)thiadiazol-5-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone

C19H17N3O2S — CID 100774869

IUPAC[4-(4-methoxyphenyl)thiadiazol-5-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
SMILESCOc1ccc(-c2nnsc2C(=O)N2c3ccccc3C[C@@H]2C)cc1
InChIInChI=1S/C19H17N3O2S/c1-12-11-14-5-3-4-6-16(14)22(12)19(23)18-17(20-21-25-18)13-7-9-15(24-2)10-8-13/h3-10,12H,11H2,1-2H3/t12-/m0/s1
InChIKeyFXGNSQCDAFOIKX-LBPRGKRZSA-N
MW351.43 g/mol
LogP3.81
Rot. Bonds3

About [4-(4-methoxyphenyl)thiadiazol-5-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone

[4-(4-methoxyphenyl)thiadiazol-5-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone (PubChem CID 100774869) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)thiadiazol-5-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)thiadiazol-5-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
PubChem CID100774869
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC Name[4-(4-methoxyphenyl)thiadiazol-5-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
SMILESCOc1ccc(-c2nnsc2C(=O)N2c3ccccc3C[C@@H]2C)cc1
InChIInChI=1S/C19H17N3O2S/c1-12-11-14-5-3-4-6-16(14)22(12)19(23)18-17(20-21-25-18)13-7-9-15(24-2)10-8-13/h3-10,12H,11H2,1-2H3/t12-/m0/s1
InChIKeyFXGNSQCDAFOIKX-LBPRGKRZSA-N
XLogP3.81
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-[4-(4-methoxyphenyl)thiadiazol-5-yl]methanone
CID 133159084
4-(4-methoxyphenyl)-6-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrimidin-2-one
CID 110295479
(2,4-dimethyl-1,3-thiazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 42905966
2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 3228047
(3-methoxynaphthalen-2-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 26910968
(2,6-dimethoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 17319734
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 94556878
[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109120246
(2-methoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 19061805
(2S)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 7812758
(2S)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 7812757
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)thiadiazol-5-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone?
The IUPAC name of [4-(4-methoxyphenyl)thiadiazol-5-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone (CID 100774869) is [4-(4-methoxyphenyl)thiadiazol-5-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone.
What is the SMILES notation for [4-(4-methoxyphenyl)thiadiazol-5-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone?
The canonical SMILES for [4-(4-methoxyphenyl)thiadiazol-5-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone is COc1ccc(-c2nnsc2C(=O)N2c3ccccc3C[C@@H]2C)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)thiadiazol-5-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone?
The InChIKey is FXGNSQCDAFOIKX-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-12-11-14-5-3-4-6-16(14)22(12)19(23)18-17(20-21-25-18)13-7-9-15(24-2)10-8-13/h3-10,12H,11H2,1-2H3/t12-/m0/s1.
What are the key properties of [4-(4-methoxyphenyl)thiadiazol-5-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone?
[4-(4-methoxyphenyl)thiadiazol-5-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone has a molecular weight of 351.43 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)thiadiazol-5-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone is sourced from PubChem (CID 100774869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).