N-(2,3-dihydro-1H-inden-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide

C17H15N3OS — CID 126780618

IUPACN-(2,3-dihydro-1H-inden-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide
SMILESO=C(NCC1CCc2ccccc21)c1nc2cccnc2s1
InChIInChI=1S/C17H15N3OS/c21-15(17-20-14-6-3-9-18-16(14)22-17)19-10-12-8-7-11-4-1-2-5-13(11)12/h1-6,9,12H,7-8,10H2,(H,19,21)
InChIKeyUNSXAWSOFWBCJV-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.15
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide

N-(2,3-dihydro-1H-inden-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide (PubChem CID 126780618) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide
PubChem CID126780618
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC NameN-(2,3-dihydro-1H-inden-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide
SMILESO=C(NCC1CCc2ccccc21)c1nc2cccnc2s1
InChIInChI=1S/C17H15N3OS/c21-15(17-20-14-6-3-9-18-16(14)22-17)19-10-12-8-7-11-4-1-2-5-13(11)12/h1-6,9,12H,7-8,10H2,(H,19,21)
InChIKeyUNSXAWSOFWBCJV-UHFFFAOYSA-N
XLogP3.15
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyridine-2-carboxamide
CID 39991451
6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyridine-3-carboxamide
CID 42888995
6-(1,2,3,4-tetrahydronaphthalen-1-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 119181193
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 95140572
N-(5-piperidin-4-yl-1H-pyrazol-3-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide
CID 167866569
3-(2,3-dihydro-1H-inden-1-ylmethylamino)-2-methyl-3-oxopropanoic acid
CID 122065562
2-(cyclopropylmethylamino)-N-(2,3-dihydro-1H-inden-1-ylmethyl)acetamide;hydrochloride
CID 119783179
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625369
2-ethylsulfanyl-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyridine-4-carboxamide
CID 95057098
N-[[1-([1,3]thiazolo[5,4-b]pyridine-2-carbonyl)piperidin-2-yl]methyl]acetamide
CID 154780110
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(3-pyridin-3-yloxypropyl)acetamide
CID 97116698
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 97139216

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide (CID 126780618) is N-(2,3-dihydro-1H-inden-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide is O=C(NCC1CCc2ccccc21)c1nc2cccnc2s1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide?
The InChIKey is UNSXAWSOFWBCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c21-15(17-20-14-6-3-9-18-16(14)22-17)19-10-12-8-7-11-4-1-2-5-13(11)12/h1-6,9,12H,7-8,10H2,(H,19,21).
What are the key properties of N-(2,3-dihydro-1H-inden-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide?
N-(2,3-dihydro-1H-inden-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide has a molecular weight of 309.39 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide is sourced from PubChem (CID 126780618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).