N-[1-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide

C14H15N3OS — CID 77045193

IUPACN-[1-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCC(NC(=O)C1Cc2ccccc2N1)c1nccs1
InChIInChI=1S/C14H15N3OS/c1-9(14-15-6-7-19-14)16-13(18)12-8-10-4-2-3-5-11(10)17-12/h2-7,9,12,17H,8H2,1H3,(H,16,18)
InChIKeyJXDZJKJBHLJJLQ-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.36
Rot. Bonds3

About N-[1-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide

N-[1-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 77045193) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is N-[1-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID77045193
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC NameN-[1-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCC(NC(=O)C1Cc2ccccc2N1)c1nccs1
InChIInChI=1S/C14H15N3OS/c1-9(14-15-6-7-19-14)16-13(18)12-8-10-4-2-3-5-11(10)17-12/h2-7,9,12,17H,8H2,1H3,(H,16,18)
InChIKeyJXDZJKJBHLJJLQ-UHFFFAOYSA-N
XLogP2.36
TPSA54.02 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 ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-[1-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide (CID 77045193) is N-[1-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[1-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[1-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide is CC(NC(=O)C1Cc2ccccc2N1)c1nccs1.
What is the InChIKey of N-[1-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is JXDZJKJBHLJJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-9(14-15-6-7-19-14)16-13(18)12-8-10-4-2-3-5-11(10)17-12/h2-7,9,12,17H,8H2,1H3,(H,16,18).
What are the key properties of N-[1-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide?
N-[1-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 273.36 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 77045193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).