2-(5-methoxy-1-methylindol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3,4-thiadiazole

C20H17N5OS — CID 164946340

IUPAC2-(5-methoxy-1-methylindol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3,4-thiadiazole
SMILESCOc1ccc2c(c1)c(-c1nnc(-c3cn(C)c4ncccc34)s1)cn2C
InChIInChI=1S/C20H17N5OS/c1-24-10-16(14-9-12(26-3)6-7-17(14)24)20-23-22-19(27-20)15-11-25(2)18-13(15)5-4-8-21-18/h4-11H,1-3H3
InChIKeyFFBGHIDUNUBBAV-UHFFFAOYSA-N
MW375.46 g/mol
LogP4.26
Rot. Bonds3

About 2-(5-methoxy-1-methylindol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3,4-thiadiazole

2-(5-methoxy-1-methylindol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3,4-thiadiazole (PubChem CID 164946340) has the molecular formula C20H17N5OS and a molecular weight of 375.46 g/mol. Its IUPAC name is 2-(5-methoxy-1-methylindol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(5-methoxy-1-methylindol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3,4-thiadiazole
PubChem CID164946340
Molecular FormulaC20H17N5OS
Molecular Weight375.46 g/mol
Exact Mass375.12
IUPAC Name2-(5-methoxy-1-methylindol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3,4-thiadiazole
SMILESCOc1ccc2c(c1)c(-c1nnc(-c3cn(C)c4ncccc34)s1)cn2C
InChIInChI=1S/C20H17N5OS/c1-24-10-16(14-9-12(26-3)6-7-17(14)24)20-23-22-19(27-20)15-11-25(2)18-13(15)5-4-8-21-18/h4-11H,1-3H3
InChIKeyFFBGHIDUNUBBAV-UHFFFAOYSA-N
XLogP4.26
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(5-methoxy-1-methylindol-3-yl)-1,2-oxazol-4-amine
CID 115109081
2-(5-methoxy-1-methylindol-3-yl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 171716242
2-(5-methoxy-1-methylindol-3-yl)-4-naphthalen-2-yl-1,3-thiazole
CID 155807224
N-(3-methoxyphenyl)-4-methyl-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-5-carboxamide
CID 53172890
3-bromo-5-methoxy-1-methylindole
CID 67003649
5-methoxy-1-methyl-3-(1H-pyrrol-2-yl)indole
CID 69300712
2-(5-methoxy-1-methylindol-3-yl)-4-thiophen-3-yl-1,3-thiazole
CID 155815622
1-methyl-3-[5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1H-pyrrol-2-yl]pyrrolo[2,3-b]pyridine
CID 155805321
6-(5-bromo-1-methylindol-3-yl)-5-(5-methoxy-1-methylindol-3-yl)-1,2,4-triazin-3-amine
CID 169448308
N-(4-methoxyphenyl)-1-methylpyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174001
4-(5-methoxy-1-methylindol-3-yl)-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 58382433
N-(2,5-dimethoxyphenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 53161153

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1-methylindol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-(5-methoxy-1-methylindol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3,4-thiadiazole (CID 164946340) is 2-(5-methoxy-1-methylindol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(5-methoxy-1-methylindol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(5-methoxy-1-methylindol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3,4-thiadiazole is COc1ccc2c(c1)c(-c1nnc(-c3cn(C)c4ncccc34)s1)cn2C.
What is the InChIKey of 2-(5-methoxy-1-methylindol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3,4-thiadiazole?
The InChIKey is FFBGHIDUNUBBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5OS/c1-24-10-16(14-9-12(26-3)6-7-17(14)24)20-23-22-19(27-20)15-11-25(2)18-13(15)5-4-8-21-18/h4-11H,1-3H3.
What are the key properties of 2-(5-methoxy-1-methylindol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3,4-thiadiazole?
2-(5-methoxy-1-methylindol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3,4-thiadiazole has a molecular weight of 375.46 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1-methylindol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 164946340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).