1-methyl-N-(1,3-thiazol-2-ylmethyl)-2,3-dihydroindole-5-carboxamide

C14H15N3OS — CID 110485474

IUPAC1-methyl-N-(1,3-thiazol-2-ylmethyl)-2,3-dihydroindole-5-carboxamide
SMILESCN1CCc2cc(C(=O)NCc3nccs3)ccc21
InChIInChI=1S/C14H15N3OS/c1-17-6-4-10-8-11(2-3-12(10)17)14(18)16-9-13-15-5-7-19-13/h2-3,5,7-8H,4,6,9H2,1H3,(H,16,18)
InChIKeyHLGAPGXUIMSKCE-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.07
Rot. Bonds3

About 1-methyl-N-(1,3-thiazol-2-ylmethyl)-2,3-dihydroindole-5-carboxamide

1-methyl-N-(1,3-thiazol-2-ylmethyl)-2,3-dihydroindole-5-carboxamide (PubChem CID 110485474) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-methyl-N-(1,3-thiazol-2-ylmethyl)-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(1,3-thiazol-2-ylmethyl)-2,3-dihydroindole-5-carboxamide
PubChem CID110485474
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name1-methyl-N-(1,3-thiazol-2-ylmethyl)-2,3-dihydroindole-5-carboxamide
SMILESCN1CCc2cc(C(=O)NCc3nccs3)ccc21
InChIInChI=1S/C14H15N3OS/c1-17-6-4-10-8-11(2-3-12(10)17)14(18)16-9-13-15-5-7-19-13/h2-3,5,7-8H,4,6,9H2,1H3,(H,16,18)
InChIKeyHLGAPGXUIMSKCE-UHFFFAOYSA-N
XLogP2.07
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-quinoline-6-carboxamide
CID 110485892
4-(1,3-thiazol-2-ylmethylcarbamoyl)benzoic acid
CID 54962478
N-butyl-1-methyl-2,3-dihydroindole-5-carboxamide
CID 110485487
1,2-dimethyl-3-oxo-N-(1,3-thiazol-2-ylmethyl)-2,4-dihydroquinoxaline-6-carboxamide
CID 146128564
N-[2-(2-hydroxyethoxy)ethyl]-1-methyl-2,3-dihydroindole-5-carboxamide
CID 110485493
N-(1,3-thiazol-2-ylmethyl)isoquinoline-6-carboxamide
CID 110485103
N-(5-hydroxypentyl)-1-methyl-2,3-dihydroindole-5-carboxamide
CID 110485516
4-bromo-3-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 103872542
4-bromo-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 60773800
4-acetamido-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 110445281
ethyl 2-[(1-methyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]acetate
CID 110485909
ethane;1-(1-methyl-2,3-dihydroindol-5-yl)ethanone
CID 91428758

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1,3-thiazol-2-ylmethyl)-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-methyl-N-(1,3-thiazol-2-ylmethyl)-2,3-dihydroindole-5-carboxamide (CID 110485474) is 1-methyl-N-(1,3-thiazol-2-ylmethyl)-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-(1,3-thiazol-2-ylmethyl)-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-methyl-N-(1,3-thiazol-2-ylmethyl)-2,3-dihydroindole-5-carboxamide is CN1CCc2cc(C(=O)NCc3nccs3)ccc21.
What is the InChIKey of 1-methyl-N-(1,3-thiazol-2-ylmethyl)-2,3-dihydroindole-5-carboxamide?
The InChIKey is HLGAPGXUIMSKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-17-6-4-10-8-11(2-3-12(10)17)14(18)16-9-13-15-5-7-19-13/h2-3,5,7-8H,4,6,9H2,1H3,(H,16,18).
What are the key properties of 1-methyl-N-(1,3-thiazol-2-ylmethyl)-2,3-dihydroindole-5-carboxamide?
1-methyl-N-(1,3-thiazol-2-ylmethyl)-2,3-dihydroindole-5-carboxamide has a molecular weight of 273.36 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1,3-thiazol-2-ylmethyl)-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 110485474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).