[5-[2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(2-methylphenyl)methanone

C20H19N3OS — CID 1450301

IUPAC[5-[2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(2-methylphenyl)methanone
SMILESCNc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccccc2C)cs1
InChIInChI=1S/C20H19N3OS/c1-13-5-3-4-6-16(13)19(24)23-10-9-15-11-14(7-8-18(15)23)17-12-25-20(21-2)22-17/h3-8,11-12H,9-10H2,1-2H3,(H,21,22)
InChIKeyPJJGCSOCNPBPPD-UHFFFAOYSA-N
MW349.46 g/mol
LogP4.36
Rot. Bonds3

About [5-[2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(2-methylphenyl)methanone

[5-[2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(2-methylphenyl)methanone (PubChem CID 1450301) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is [5-[2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[5-[2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(2-methylphenyl)methanone
PubChem CID1450301
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC Name[5-[2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(2-methylphenyl)methanone
SMILESCNc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccccc2C)cs1
InChIInChI=1S/C20H19N3OS/c1-13-5-3-4-6-16(13)19(24)23-10-9-15-11-14(7-8-18(15)23)17-12-25-20(21-2)22-17/h3-8,11-12H,9-10H2,1-2H3,(H,21,22)
InChIKeyPJJGCSOCNPBPPD-UHFFFAOYSA-N
XLogP4.36
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(2-methylphenyl)methanone?
The IUPAC name of [5-[2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(2-methylphenyl)methanone (CID 1450301) is [5-[2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [5-[2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [5-[2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(2-methylphenyl)methanone is CNc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccccc2C)cs1.
What is the InChIKey of [5-[2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(2-methylphenyl)methanone?
The InChIKey is PJJGCSOCNPBPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS/c1-13-5-3-4-6-16(13)19(24)23-10-9-15-11-14(7-8-18(15)23)17-12-25-20(21-2)22-17/h3-8,11-12H,9-10H2,1-2H3,(H,21,22).
What are the key properties of [5-[2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(2-methylphenyl)methanone?
[5-[2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(2-methylphenyl)methanone has a molecular weight of 349.46 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 1450301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).