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

C14H15FN4OS — CID 103504880

IUPAC[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone
SMILESCN(C)c1nc(N)c(C(=O)N2CCc3ccc(F)cc32)s1
InChIInChI=1S/C14H15FN4OS/c1-18(2)14-17-12(16)11(21-14)13(20)19-6-5-8-3-4-9(15)7-10(8)19/h3-4,7H,5-6,16H2,1-2H3
InChIKeyOEEBFLBZDLYHRH-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.13
Rot. Bonds2

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

[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone (PubChem CID 103504880) has the molecular formula C14H15FN4OS and a molecular weight of 306.37 g/mol. Its IUPAC name is [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone
PubChem CID103504880
Molecular FormulaC14H15FN4OS
Molecular Weight306.37 g/mol
Exact Mass306.10
IUPAC Name[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone
SMILESCN(C)c1nc(N)c(C(=O)N2CCc3ccc(F)cc32)s1
InChIInChI=1S/C14H15FN4OS/c1-18(2)14-17-12(16)11(21-14)13(20)19-6-5-8-3-4-9(15)7-10(8)19/h3-4,7H,5-6,16H2,1-2H3
InChIKeyOEEBFLBZDLYHRH-UHFFFAOYSA-N
XLogP2.13
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone with MolForge

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Related Compounds

[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103504881
(5-bromothiophen-2-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 113228439
(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
(6-bromo-3-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103718991
(3-amino-4-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103502191
(4-amino-1H-pyrazol-5-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103493823
(3-amino-5-fluoro-4-methylphenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103493768
(2S)-2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one
CID 103796136
2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103796139
(6-fluoro-2,3-dihydroindol-1-yl)-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone
CID 103502364

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone (CID 103504880) is [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone is CN(C)c1nc(N)c(C(=O)N2CCc3ccc(F)cc32)s1.
What is the InChIKey of [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone?
The InChIKey is OEEBFLBZDLYHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4OS/c1-18(2)14-17-12(16)11(21-14)13(20)19-6-5-8-3-4-9(15)7-10(8)19/h3-4,7H,5-6,16H2,1-2H3.
What are the key properties of [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone?
[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone has a molecular weight of 306.37 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 103504880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).