2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-(2-methyl-1H-indol-3-yl)ethanone

C14H15N3OS — CID 3714983

IUPAC2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-(2-methyl-1H-indol-3-yl)ethanone
SMILESCc1[nH]c2ccccc2c1C(=O)CNC1=NCCS1
InChIInChI=1S/C14H15N3OS/c1-9-13(10-4-2-3-5-11(10)17-9)12(18)8-16-14-15-6-7-19-14/h2-5,17H,6-8H2,1H3,(H,15,16)
InChIKeyLVGJCWSEROPJHL-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.35
Rot. Bonds3

About 2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-(2-methyl-1H-indol-3-yl)ethanone

2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-(2-methyl-1H-indol-3-yl)ethanone (PubChem CID 3714983) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-(2-methyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-(2-methyl-1H-indol-3-yl)ethanone
PubChem CID3714983
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-(2-methyl-1H-indol-3-yl)ethanone
SMILESCc1[nH]c2ccccc2c1C(=O)CNC1=NCCS1
InChIInChI=1S/C14H15N3OS/c1-9-13(10-4-2-3-5-11(10)17-9)12(18)8-16-14-15-6-7-19-14/h2-5,17H,6-8H2,1H3,(H,15,16)
InChIKeyLVGJCWSEROPJHL-UHFFFAOYSA-N
XLogP2.35
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-(2-methyl-1H-indol-3-yl)ethanone with MolForge

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Related Compounds

3-[[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]amino]propanoic acid
CID 98017040
2-(dimethylamino)-1-(2-methyl-1H-indol-3-yl)ethanone
CID 804946
1-(2-methyl-1H-indol-3-yl)-2-thiomorpholin-4-ylethanone
CID 659447
CID 170645728
CID 170645728
1-(2-methyl-1H-indol-3-yl)-2-phenylethanone
CID 15577659
4-(methylamino)-1-(2-methyl-1H-indol-3-yl)butan-1-one
CID 116915904
1-(2-methyl-1H-indol-3-yl)pentan-1-one
CID 4682217
2-cycloheptyl-1-(2-methyl-1H-indol-3-yl)ethanone
CID 114457307
1-(2-methyl-1H-indol-3-yl)nonan-1-one
CID 65449117
1-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 7819513
methyl 2-methyl-1H-indole-3-carboxylate
CID 594174
N,2-dimethyl-1H-indole-3-carboxamide
CID 20800690

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-(2-methyl-1H-indol-3-yl)ethanone?
The IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-(2-methyl-1H-indol-3-yl)ethanone (CID 3714983) is 2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-(2-methyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-(2-methyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-(2-methyl-1H-indol-3-yl)ethanone is Cc1[nH]c2ccccc2c1C(=O)CNC1=NCCS1.
What is the InChIKey of 2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-(2-methyl-1H-indol-3-yl)ethanone?
The InChIKey is LVGJCWSEROPJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-9-13(10-4-2-3-5-11(10)17-9)12(18)8-16-14-15-6-7-19-14/h2-5,17H,6-8H2,1H3,(H,15,16).
What are the key properties of 2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-(2-methyl-1H-indol-3-yl)ethanone?
2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-(2-methyl-1H-indol-3-yl)ethanone has a molecular weight of 273.36 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-(2-methyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 3714983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).