N-(3-methylsulfanylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine

C14H13N3S — CID 59506846

IUPACN-(3-methylsulfanylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine
SMILESCSc1cccc(Nc2cnc3[nH]ccc3c2)c1
InChIInChI=1S/C14H13N3S/c1-18-13-4-2-3-11(8-13)17-12-7-10-5-6-15-14(10)16-9-12/h2-9,17H,1H3,(H,15,16)
InChIKeyXEZJHNMXAZJYOU-UHFFFAOYSA-N
MW255.35 g/mol
LogP4.03
Rot. Bonds3

About N-(3-methylsulfanylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine

N-(3-methylsulfanylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine (PubChem CID 59506846) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine.

Molecular Properties

Compound NameN-(3-methylsulfanylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine
PubChem CID59506846
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC NameN-(3-methylsulfanylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine
SMILESCSc1cccc(Nc2cnc3[nH]ccc3c2)c1
InChIInChI=1S/C14H13N3S/c1-18-13-4-2-3-11(8-13)17-12-7-10-5-6-15-14(10)16-9-12/h2-9,17H,1H3,(H,15,16)
InChIKeyXEZJHNMXAZJYOU-UHFFFAOYSA-N
XLogP4.03
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine
CID 58086052
N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinolin-6-amine
CID 58087251
5-methyl-N-(3-methylsulfanylphenyl)-1H-imidazol-2-amine
CID 106555444
5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridine
CID 59128709
5-fluoro-2-N,4-N-bis(3-methylsulfanylphenyl)pyrimidine-2,4-diamine
CID 1284769
5-(3-methylsulfanylanilino)-2H-1,2,4-triazine-3-thione
CID 23412179
5-ethylsulfanyl-1H-pyrrolo[2,3-b]pyridine
CID 67227937
6-N-(3-methylsulfanylphenyl)pyridine-2,6-diamine
CID 80647295
3-(3-methylsulfanylanilino)-4H-1,2,4-triazin-5-one
CID 136779338
5-chloro-4-(3-methylsulfanylanilino)-1H-pyrimidin-6-one
CID 136970486
6-methyl-2-N-(3-methylsulfanylphenyl)pyridine-2,3-diamine
CID 79020854
4-bromo-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine
CID 79399128

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine?
The IUPAC name of N-(3-methylsulfanylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine (CID 59506846) is N-(3-methylsulfanylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine.
What is the SMILES notation for N-(3-methylsulfanylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine?
The canonical SMILES for N-(3-methylsulfanylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine is CSc1cccc(Nc2cnc3[nH]ccc3c2)c1.
What is the InChIKey of N-(3-methylsulfanylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine?
The InChIKey is XEZJHNMXAZJYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c1-18-13-4-2-3-11(8-13)17-12-7-10-5-6-15-14(10)16-9-12/h2-9,17H,1H3,(H,15,16).
What are the key properties of N-(3-methylsulfanylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine?
N-(3-methylsulfanylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine has a molecular weight of 255.35 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine is sourced from PubChem (CID 59506846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).