N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(1H-indol-3-yl)butanamide

C20H24N4OS — CID 46525596

IUPACN-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(1H-indol-3-yl)butanamide
SMILESCCN1CCc2nc(NC(=O)CCCc3c[nH]c4ccccc34)sc2C1
InChIInChI=1S/C20H24N4OS/c1-2-24-11-10-17-18(13-24)26-20(22-17)23-19(25)9-5-6-14-12-21-16-8-4-3-7-15(14)16/h3-4,7-8,12,21H,2,5-6,9-11,13H2,1H3,(H,22,23,25)
InChIKeySAEYGFLBSRQENX-UHFFFAOYSA-N
MW368.51 g/mol
LogP3.96
Rot. Bonds6

About N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(1H-indol-3-yl)butanamide

N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(1H-indol-3-yl)butanamide (PubChem CID 46525596) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(1H-indol-3-yl)butanamide
PubChem CID46525596
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC NameN-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(1H-indol-3-yl)butanamide
SMILESCCN1CCc2nc(NC(=O)CCCc3c[nH]c4ccccc34)sc2C1
InChIInChI=1S/C20H24N4OS/c1-2-24-11-10-17-18(13-24)26-20(22-17)23-19(25)9-5-6-14-12-21-16-8-4-3-7-15(14)16/h3-4,7-8,12,21H,2,5-6,9-11,13H2,1H3,(H,22,23,25)
InChIKeySAEYGFLBSRQENX-UHFFFAOYSA-N
XLogP3.96
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(1H-indol-3-yl)acetamide
CID 90532385
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-phenylphenyl)acetamide
CID 29412794
2-(1,2-benzoxazol-3-yl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 47009951
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(4-methylphenyl)propanamide
CID 29413371
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)butanamide
CID 17453392
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(4-methoxyphenoxy)butanamide
CID 78772933
2-(2,6-dichlorophenyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 29412832
(3S)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-phenylbutanamide
CID 29412489
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-methylsulfonylphenyl)acetamide;hydrochloride
CID 44827099
4-(1H-indol-3-yl)-N-naphthalen-1-ylbutanamide
CID 26087317
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 29413242
(E)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-phenylprop-2-enamide
CID 44975887

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(1H-indol-3-yl)butanamide?
The IUPAC name of N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(1H-indol-3-yl)butanamide (CID 46525596) is N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(1H-indol-3-yl)butanamide.
What is the SMILES notation for N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(1H-indol-3-yl)butanamide?
The canonical SMILES for N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(1H-indol-3-yl)butanamide is CCN1CCc2nc(NC(=O)CCCc3c[nH]c4ccccc34)sc2C1.
What is the InChIKey of N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(1H-indol-3-yl)butanamide?
The InChIKey is SAEYGFLBSRQENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS/c1-2-24-11-10-17-18(13-24)26-20(22-17)23-19(25)9-5-6-14-12-21-16-8-4-3-7-15(14)16/h3-4,7-8,12,21H,2,5-6,9-11,13H2,1H3,(H,22,23,25).
What are the key properties of N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(1H-indol-3-yl)butanamide?
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(1H-indol-3-yl)butanamide has a molecular weight of 368.51 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(1H-indol-3-yl)butanamide is sourced from PubChem (CID 46525596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).