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

C20H18FN3OS — CID 1450296

IUPAC(2-fluorophenyl)-[5-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]methanone
SMILESCNc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccccc2F)c(C)s1
InChIInChI=1S/C20H18FN3OS/c1-12-18(23-20(22-2)26-12)14-7-8-17-13(11-14)9-10-24(17)19(25)15-5-3-4-6-16(15)21/h3-8,11H,9-10H2,1-2H3,(H,22,23)
InChIKeyUWXVOWGCHYIWGZ-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.50
Rot. Bonds3

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

(2-fluorophenyl)-[5-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]methanone (PubChem CID 1450296) has the molecular formula C20H18FN3OS and a molecular weight of 367.45 g/mol. Its IUPAC name is (2-fluorophenyl)-[5-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[5-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]methanone
PubChem CID1450296
Molecular FormulaC20H18FN3OS
Molecular Weight367.45 g/mol
Exact Mass367.12
IUPAC Name(2-fluorophenyl)-[5-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]methanone
SMILESCNc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccccc2F)c(C)s1
InChIInChI=1S/C20H18FN3OS/c1-12-18(23-20(22-2)26-12)14-7-8-17-13(11-14)9-10-24(17)19(25)15-5-3-4-6-16(15)21/h3-8,11H,9-10H2,1-2H3,(H,22,23)
InChIKeyUWXVOWGCHYIWGZ-UHFFFAOYSA-N
XLogP4.50
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[5-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[5-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]methanone (CID 1450296) is (2-fluorophenyl)-[5-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[5-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[5-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]methanone is CNc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccccc2F)c(C)s1.
What is the InChIKey of (2-fluorophenyl)-[5-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]methanone?
The InChIKey is UWXVOWGCHYIWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3OS/c1-12-18(23-20(22-2)26-12)14-7-8-17-13(11-14)9-10-24(17)19(25)15-5-3-4-6-16(15)21/h3-8,11H,9-10H2,1-2H3,(H,22,23).
What are the key properties of (2-fluorophenyl)-[5-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]methanone?
(2-fluorophenyl)-[5-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]methanone has a molecular weight of 367.45 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[5-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]methanone is sourced from PubChem (CID 1450296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).