5-[amino-(3-chloro-4-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one

C14H13ClN2OS — CID 103400598

IUPAC5-[amino-(3-chloro-4-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one
SMILESCc1csc(C(N)c2ccc3c(c2)CC(=O)N3)c1Cl
InChIInChI=1S/C14H13ClN2OS/c1-7-6-19-14(12(7)15)13(16)8-2-3-10-9(4-8)5-11(18)17-10/h2-4,6,13H,5,16H2,1H3,(H,17,18)
InChIKeyPOEDPKOSUVUZCE-UHFFFAOYSA-N
MW292.79 g/mol
LogP3.25
Rot. Bonds2

About 5-[amino-(3-chloro-4-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one

5-[amino-(3-chloro-4-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one (PubChem CID 103400598) has the molecular formula C14H13ClN2OS and a molecular weight of 292.79 g/mol. Its IUPAC name is 5-[amino-(3-chloro-4-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[amino-(3-chloro-4-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one
PubChem CID103400598
Molecular FormulaC14H13ClN2OS
Molecular Weight292.79 g/mol
Exact Mass292.04
IUPAC Name5-[amino-(3-chloro-4-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one
SMILESCc1csc(C(N)c2ccc3c(c2)CC(=O)N3)c1Cl
InChIInChI=1S/C14H13ClN2OS/c1-7-6-19-14(12(7)15)13(16)8-2-3-10-9(4-8)5-11(18)17-10/h2-4,6,13H,5,16H2,1H3,(H,17,18)
InChIKeyPOEDPKOSUVUZCE-UHFFFAOYSA-N
XLogP3.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[amino-(3-chloro-4-methylthiophen-2-yl)methyl]-3,3-dimethyl-1H-indol-2-one
CID 103401270
5-[amino-(3,5-dichlorophenyl)methyl]-1,3-dihydroindol-2-one
CID 43096298
5-[amino(chloro)methyl]-1,3-dihydroindol-2-one
CID 116947756
5-[chloro-(3-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one
CID 61083583
5-[amino-(2-fluoro-3-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 81477151
5-[amino-(2,6-difluoro-3-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 82796773
5-[amino(naphthalen-2-yl)methyl]-1,3-dihydroindol-2-one
CID 43824898
5-[amino-(2-bromo-3-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 107981813
7-[amino-(3-methylthiophen-2-yl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 43464752
5-[amino(bromo)methyl]-1,3-dihydroindol-2-one
CID 116947599
5-[amino(pyridin-4-yl)methyl]-1,3-dihydroindol-2-one
CID 43198852
5-[amino-(2-bromophenyl)methyl]-1,3-dihydroindol-2-one
CID 43197937

Frequently Asked Questions

What is the IUPAC name of 5-[amino-(3-chloro-4-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[amino-(3-chloro-4-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one (CID 103400598) is 5-[amino-(3-chloro-4-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[amino-(3-chloro-4-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[amino-(3-chloro-4-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one is Cc1csc(C(N)c2ccc3c(c2)CC(=O)N3)c1Cl.
What is the InChIKey of 5-[amino-(3-chloro-4-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one?
The InChIKey is POEDPKOSUVUZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2OS/c1-7-6-19-14(12(7)15)13(16)8-2-3-10-9(4-8)5-11(18)17-10/h2-4,6,13H,5,16H2,1H3,(H,17,18).
What are the key properties of 5-[amino-(3-chloro-4-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one?
5-[amino-(3-chloro-4-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one has a molecular weight of 292.79 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino-(3-chloro-4-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 103400598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).