[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone

C13H13FN4OS — CID 103504881

IUPAC[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone
SMILESCNc1nc(N)c(C(=O)N2CCc3ccc(F)cc32)s1
InChIInChI=1S/C13H13FN4OS/c1-16-13-17-11(15)10(20-13)12(19)18-5-4-7-2-3-8(14)6-9(7)18/h2-3,6H,4-5,15H2,1H3,(H,16,17)
InChIKeyLZRHBZLCHKPTDH-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.11
Rot. Bonds2

About [4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone

[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone (PubChem CID 103504881) has the molecular formula C13H13FN4OS and a molecular weight of 292.34 g/mol. Its IUPAC name is [4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone
PubChem CID103504881
Molecular FormulaC13H13FN4OS
Molecular Weight292.34 g/mol
Exact Mass292.08
IUPAC Name[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone
SMILESCNc1nc(N)c(C(=O)N2CCc3ccc(F)cc32)s1
InChIInChI=1S/C13H13FN4OS/c1-16-13-17-11(15)10(20-13)12(19)18-5-4-7-2-3-8(14)6-9(7)18/h2-3,6H,4-5,15H2,1H3,(H,16,17)
InChIKeyLZRHBZLCHKPTDH-UHFFFAOYSA-N
XLogP2.11
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103504880
[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 116666348
(5-bromothiophen-2-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 113228439
(3-amino-5-fluoro-4-methylphenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103493768
(6-fluoro-2,3-dihydroindol-1-yl)-[3-(methylamino)-4-pyridinyl]methanone
CID 103502155
1-(6-fluoro-2,3-dihydroindol-1-yl)-2-(methylamino)ethanone;hydrochloride
CID 119760474
[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 116667406
(4-amino-2-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103502157
(2,4-diaminophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103493819
(4-amino-3-fluorophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103493821
[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(azocan-1-yl)methanone
CID 116669119
(3-amino-4-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103502191

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone (CID 103504881) is [4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone is CNc1nc(N)c(C(=O)N2CCc3ccc(F)cc32)s1.
What is the InChIKey of [4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone?
The InChIKey is LZRHBZLCHKPTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4OS/c1-16-13-17-11(15)10(20-13)12(19)18-5-4-7-2-3-8(14)6-9(7)18/h2-3,6H,4-5,15H2,1H3,(H,16,17).
What are the key properties of [4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone?
[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone has a molecular weight of 292.34 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 103504881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).