5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;5-methyl-1H-indole-2-carboxamide;1-methylsulfinylpiperidine

C24H34N6O3S2 — CID 142914831

IUPAC5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;5-methyl-1H-indole-2-carboxamide;1-methylsulfinylpiperidine
SMILESCN1CCc2nc(C(N)=O)sc2C1.CS(=O)N1CCCCC1.Cc1ccc2[nH]c(C(N)=O)cc2c1
InChIInChI=1S/C10H10N2O.C8H11N3OS.C6H13NOS/c1-6-2-3-8-7(4-6)5-9(12-8)10(11)13;1-11-3-2-5-6(4-11)13-8(10-5)7(9)12;1-9(8)7-5-3-2-4-6-7/h2-5,12H,1H3,(H2,11,13);2-4H2,1H3,(H2,9,12);2-6H2,1H3
InChIKeyXNIZNZAKWAJHEZ-UHFFFAOYSA-N
MW518.71 g/mol
LogP2.57
Rot. Bonds3

About 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;5-methyl-1H-indole-2-carboxamide;1-methylsulfinylpiperidine

5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;5-methyl-1H-indole-2-carboxamide;1-methylsulfinylpiperidine (PubChem CID 142914831) has the molecular formula C24H34N6O3S2 and a molecular weight of 518.71 g/mol. Its IUPAC name is 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;5-methyl-1H-indole-2-carboxamide;1-methylsulfinylpiperidine.

Molecular Properties

Compound Name5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;5-methyl-1H-indole-2-carboxamide;1-methylsulfinylpiperidine
PubChem CID142914831
Molecular FormulaC24H34N6O3S2
Molecular Weight518.71 g/mol
Exact Mass518.21
IUPAC Name5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;5-methyl-1H-indole-2-carboxamide;1-methylsulfinylpiperidine
SMILESCN1CCc2nc(C(N)=O)sc2C1.CS(=O)N1CCCCC1.Cc1ccc2[nH]c(C(N)=O)cc2c1
InChIInChI=1S/C10H10N2O.C8H11N3OS.C6H13NOS/c1-6-2-3-8-7(4-6)5-9(12-8)10(11)13;1-11-3-2-5-6(4-11)13-8(10-5)7(9)12;1-9(8)7-5-3-2-4-6-7/h2-5,12H,1H3,(H2,11,13);2-4H2,1H3,(H2,9,12);2-6H2,1H3
InChIKeyXNIZNZAKWAJHEZ-UHFFFAOYSA-N
XLogP2.57
TPSA138.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.71
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-[(3S,4S)-4-[(5-methyl-1H-indole-2-carbonyl)amino]oxolan-3-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 142197876
N-(4-acetylcyclohexyl)-5-chloro-1H-indole-2-carboxamide;5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 142089249
5-methyl-N-[(2S)-2-[(5-methyl-1H-indole-2-carbonyl)amino]cyclohexylidene]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 142089236
5-methyl-N-[[(2S)-2-[(5-methyl-1H-indole-2-carbonyl)amino]cyclohexyl]methylidene]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 163623731
tert-butyl (3R,4R)-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-[(5-methyl-1H-indole-2-carbonyl)amino]pyrrolidine-1-carboxylate
CID 142197863
5-chloro-1H-indole-2-carboxamide;5-methyl-N-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 142198091
N-[(3R,4R)-1-[(1-formylcyclopropyl)methyl]-4-[(5-methyl-1H-indole-2-carbonyl)amino]pyrrolidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 88872135
N-[(1S,2R,5R)-5-carbamoyl-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 68907650
N-[(1R,2S,5S)-5-carbamoyl-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 58822171
N-[(1S,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cycloheptyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
CID 68907725
5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 150471098
N-[(1S,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 58822130

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;5-methyl-1H-indole-2-carboxamide;1-methylsulfinylpiperidine?
The IUPAC name of 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;5-methyl-1H-indole-2-carboxamide;1-methylsulfinylpiperidine (CID 142914831) is 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;5-methyl-1H-indole-2-carboxamide;1-methylsulfinylpiperidine.
What is the SMILES notation for 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;5-methyl-1H-indole-2-carboxamide;1-methylsulfinylpiperidine?
The canonical SMILES for 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;5-methyl-1H-indole-2-carboxamide;1-methylsulfinylpiperidine is CN1CCc2nc(C(N)=O)sc2C1.CS(=O)N1CCCCC1.Cc1ccc2[nH]c(C(N)=O)cc2c1.
What is the InChIKey of 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;5-methyl-1H-indole-2-carboxamide;1-methylsulfinylpiperidine?
The InChIKey is XNIZNZAKWAJHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O.C8H11N3OS.C6H13NOS/c1-6-2-3-8-7(4-6)5-9(12-8)10(11)13;1-11-3-2-5-6(4-11)13-8(10-5)7(9)12;1-9(8)7-5-3-2-4-6-7/h2-5,12H,1H3,(H2,11,13);2-4H2,1H3,(H2,9,12);2-6H2,1H3.
What are the key properties of 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;5-methyl-1H-indole-2-carboxamide;1-methylsulfinylpiperidine?
5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;5-methyl-1H-indole-2-carboxamide;1-methylsulfinylpiperidine has a molecular weight of 518.71 g/mol, XLogP of 2.57, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;5-methyl-1H-indole-2-carboxamide;1-methylsulfinylpiperidine is sourced from PubChem (CID 142914831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).