4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]thiadiazole

C15H10N4S — CID 70669946

IUPAC4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]thiadiazole
SMILESc1cc(-c2ccc(-c3csnn3)cc2)c2cc[nH]c2n1
InChIInChI=1S/C15H10N4S/c1-3-11(14-9-20-19-18-14)4-2-10(1)12-5-7-16-15-13(12)6-8-17-15/h1-9H,(H,16,17)
InChIKeyQRGOPCQYLCLLPK-UHFFFAOYSA-N
MW278.34 g/mol
LogP3.75
Rot. Bonds2

About 4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]thiadiazole

4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]thiadiazole (PubChem CID 70669946) has the molecular formula C15H10N4S and a molecular weight of 278.34 g/mol. Its IUPAC name is 4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]thiadiazole.

Molecular Properties

Compound Name4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]thiadiazole
PubChem CID70669946
Molecular FormulaC15H10N4S
Molecular Weight278.34 g/mol
Exact Mass278.06
IUPAC Name4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]thiadiazole
SMILESc1cc(-c2ccc(-c3csnn3)cc2)c2cc[nH]c2n1
InChIInChI=1S/C15H10N4S/c1-3-11(14-9-20-19-18-14)4-2-10(1)12-5-7-16-15-13(12)6-8-17-15/h1-9H,(H,16,17)
InChIKeyQRGOPCQYLCLLPK-UHFFFAOYSA-N
XLogP3.75
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 57482994
4-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 66827127
4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzoic acid
CID 69192349
N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide
CID 11999608
[3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methylamino]phenyl]methanol
CID 24857339
4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-10-azabicyclo[5.2.1]decane
CID 170614297
2-amino-3-hydroxy-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]prop-2-enamide
CID 175833948
4-[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 24857728
4-(3-phenylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine
CID 173127712
6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3,4-dihydro-2H-isoquinolin-1-one
CID 170449822
N-ethyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide
CID 56893507
N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]benzenesulfonamide
CID 172686672

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]thiadiazole?
The IUPAC name of 4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]thiadiazole (CID 70669946) is 4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]thiadiazole.
What is the SMILES notation for 4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]thiadiazole?
The canonical SMILES for 4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]thiadiazole is c1cc(-c2ccc(-c3csnn3)cc2)c2cc[nH]c2n1.
What is the InChIKey of 4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]thiadiazole?
The InChIKey is QRGOPCQYLCLLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4S/c1-3-11(14-9-20-19-18-14)4-2-10(1)12-5-7-16-15-13(12)6-8-17-15/h1-9H,(H,16,17).
What are the key properties of 4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]thiadiazole?
4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]thiadiazole has a molecular weight of 278.34 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]thiadiazole is sourced from PubChem (CID 70669946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).