N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-1,2,5-thiadiazole-3-carboxamide

C18H16N4OS — CID 51121393

IUPACN-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-1,2,5-thiadiazole-3-carboxamide
SMILESO=C(Nc1ccccc1CN1CCc2ccccc21)c1cnsn1
InChIInChI=1S/C18H16N4OS/c23-18(16-11-19-24-21-16)20-15-7-3-1-6-14(15)12-22-10-9-13-5-2-4-8-17(13)22/h1-8,11H,9-10,12H2,(H,20,23)
InChIKeyPURHDBMSIOTPMS-UHFFFAOYSA-N
MW336.42 g/mol
LogP3.35
Rot. Bonds4

About N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-1,2,5-thiadiazole-3-carboxamide

N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-1,2,5-thiadiazole-3-carboxamide (PubChem CID 51121393) has the molecular formula C18H16N4OS and a molecular weight of 336.42 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-1,2,5-thiadiazole-3-carboxamide
PubChem CID51121393
Molecular FormulaC18H16N4OS
Molecular Weight336.42 g/mol
Exact Mass336.10
IUPAC NameN-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-1,2,5-thiadiazole-3-carboxamide
SMILESO=C(Nc1ccccc1CN1CCc2ccccc21)c1cnsn1
InChIInChI=1S/C18H16N4OS/c23-18(16-11-19-24-21-16)20-15-7-3-1-6-14(15)12-22-10-9-13-5-2-4-8-17(13)22/h1-8,11H,9-10,12H2,(H,20,23)
InChIKeyPURHDBMSIOTPMS-UHFFFAOYSA-N
XLogP3.35
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]propanamide
CID 119853062
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-4-(1,3-oxazol-5-yl)benzamide
CID 55896611
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylsulfanylbenzamide
CID 112846156
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-(2-methoxyethoxy)acetamide
CID 60532329
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 51123734
2-[(2-chlorophenyl)methoxy]-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]acetamide
CID 55895342
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 60532053
3-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylbutanamide;dihydrochloride
CID 120503054
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 55895462
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-3-hydroxypyrrolidine-1-carboxamide
CID 75502903
N-[5-[[2-(2,3-dihydroindol-1-ylmethyl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 52662597
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2,4-dimethoxybenzamide
CID 55816792

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-1,2,5-thiadiazole-3-carboxamide (CID 51121393) is N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-1,2,5-thiadiazole-3-carboxamide is O=C(Nc1ccccc1CN1CCc2ccccc21)c1cnsn1.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is PURHDBMSIOTPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4OS/c23-18(16-11-19-24-21-16)20-15-7-3-1-6-14(15)12-22-10-9-13-5-2-4-8-17(13)22/h1-8,11H,9-10,12H2,(H,20,23).
What are the key properties of N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-1,2,5-thiadiazole-3-carboxamide?
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 336.42 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 51121393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).