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

C19H16FN3OS — CID 1450310

IUPAC(3-fluorophenyl)-[5-[2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]methanone
SMILESCNc1nc(-c2ccc3c(c2)CCN3C(=O)c2cccc(F)c2)cs1
InChIInChI=1S/C19H16FN3OS/c1-21-19-22-16(11-25-19)12-5-6-17-13(9-12)7-8-23(17)18(24)14-3-2-4-15(20)10-14/h2-6,9-11H,7-8H2,1H3,(H,21,22)
InChIKeyWUIKWLBFQMFOOC-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.19
Rot. Bonds3

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

(3-fluorophenyl)-[5-[2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]methanone (PubChem CID 1450310) has the molecular formula C19H16FN3OS and a molecular weight of 353.42 g/mol. Its IUPAC name is (3-fluorophenyl)-[5-[2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[5-[2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]methanone
PubChem CID1450310
Molecular FormulaC19H16FN3OS
Molecular Weight353.42 g/mol
Exact Mass353.10
IUPAC Name(3-fluorophenyl)-[5-[2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]methanone
SMILESCNc1nc(-c2ccc3c(c2)CCN3C(=O)c2cccc(F)c2)cs1
InChIInChI=1S/C19H16FN3OS/c1-21-19-22-16(11-25-19)12-5-6-17-13(9-12)7-8-23(17)18(24)14-3-2-4-15(20)10-14/h2-6,9-11H,7-8H2,1H3,(H,21,22)
InChIKeyWUIKWLBFQMFOOC-UHFFFAOYSA-N
XLogP4.19
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-4-carboxamide
CID 44143529
N,N-dimethyl-2-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-4-carboxamide
CID 44143530
N-[2-(dimethylamino)ethyl]-2-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-4-carboxamide
CID 44143531
N-[3-(dimethylamino)propyl]-2-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-4-carboxamide
CID 44143533
[5-(2-tert-Butylamino-thiazol-4-yl)-2,3-dihydro-indol-1-yl]-cyclopropyl-methanone
CID 6487686
(2-Fluorophenyl)-[5-[2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]methanone
CID 1450294
N-(2-aminoethyl)-2-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-4-carboxamide
CID 44143532
2-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-N-propyl-1,3-thiazole-4-carboxamide
CID 44143537
N-(4-methyl-1,3-thiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 2574102
4-acetamido-N-[4-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-thiazolyl]benzamide
CID 2463285
2-(3-Cyclopropyl-ureido)-benzothiazole-6-carboxylic acid (2,4,6-trimethyl-phenyl)-amide
CID 22634103
2-(3-Methyl-ureido)-benzothiazole-6-carboxylic acid (2,4,6-trimethyl-phenyl)-amide
CID 22634174

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[5-[2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[5-[2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]methanone (CID 1450310) is (3-fluorophenyl)-[5-[2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[5-[2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[5-[2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]methanone is CNc1nc(-c2ccc3c(c2)CCN3C(=O)c2cccc(F)c2)cs1.
What is the InChIKey of (3-fluorophenyl)-[5-[2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]methanone?
The InChIKey is WUIKWLBFQMFOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3OS/c1-21-19-22-16(11-25-19)12-5-6-17-13(9-12)7-8-23(17)18(24)14-3-2-4-15(20)10-14/h2-6,9-11H,7-8H2,1H3,(H,21,22).
What are the key properties of (3-fluorophenyl)-[5-[2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]methanone?
(3-fluorophenyl)-[5-[2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]methanone has a molecular weight of 353.42 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[5-[2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]methanone is sourced from PubChem (CID 1450310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).