5-methyl-4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)thiophen-2-amine

C13H13N3S — CID 82386174

IUPAC5-methyl-4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)thiophen-2-amine
SMILESCc1sc(N)cc1-c1cn(C)c2cnccc12
InChIInChI=1S/C13H13N3S/c1-8-10(5-13(14)17-8)11-7-16(2)12-6-15-4-3-9(11)12/h3-7H,14H2,1-2H3
InChIKeyQEMAOSOMHWQSJN-UHFFFAOYSA-N
MW243.34 g/mol
LogP3.19
Rot. Bonds1

About 5-methyl-4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)thiophen-2-amine

5-methyl-4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)thiophen-2-amine (PubChem CID 82386174) has the molecular formula C13H13N3S and a molecular weight of 243.34 g/mol. Its IUPAC name is 5-methyl-4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)thiophen-2-amine.

Molecular Properties

Compound Name5-methyl-4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)thiophen-2-amine
PubChem CID82386174
Molecular FormulaC13H13N3S
Molecular Weight243.34 g/mol
Exact Mass243.08
IUPAC Name5-methyl-4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)thiophen-2-amine
SMILESCc1sc(N)cc1-c1cn(C)c2cnccc12
InChIInChI=1S/C13H13N3S/c1-8-10(5-13(14)17-8)11-7-16(2)12-6-15-4-3-9(11)12/h3-7H,14H2,1-2H3
InChIKeyQEMAOSOMHWQSJN-UHFFFAOYSA-N
XLogP3.19
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)thiophen-2-amine?
The IUPAC name of 5-methyl-4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)thiophen-2-amine (CID 82386174) is 5-methyl-4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)thiophen-2-amine.
What is the SMILES notation for 5-methyl-4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)thiophen-2-amine?
The canonical SMILES for 5-methyl-4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)thiophen-2-amine is Cc1sc(N)cc1-c1cn(C)c2cnccc12.
What is the InChIKey of 5-methyl-4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)thiophen-2-amine?
The InChIKey is QEMAOSOMHWQSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3S/c1-8-10(5-13(14)17-8)11-7-16(2)12-6-15-4-3-9(11)12/h3-7H,14H2,1-2H3.
What are the key properties of 5-methyl-4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)thiophen-2-amine?
5-methyl-4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)thiophen-2-amine has a molecular weight of 243.34 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)thiophen-2-amine is sourced from PubChem (CID 82386174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).