2-(5-cyclopropyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine

C13H12N4S — CID 138570504

IUPAC2-(5-cyclopropyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESNc1ccnc2[nH]c(-c3ncc(C4CC4)s3)cc12
InChIInChI=1S/C13H12N4S/c14-9-3-4-15-12-8(9)5-10(17-12)13-16-6-11(18-13)7-1-2-7/h3-7H,1-2H2,(H3,14,15,17)
InChIKeyAHTHWHAJMIMVNU-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.15
Rot. Bonds2

About 2-(5-cyclopropyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine

2-(5-cyclopropyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine (PubChem CID 138570504) has the molecular formula C13H12N4S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-(5-cyclopropyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound Name2-(5-cyclopropyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine
PubChem CID138570504
Molecular FormulaC13H12N4S
Molecular Weight256.33 g/mol
Exact Mass256.08
IUPAC Name2-(5-cyclopropyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESNc1ccnc2[nH]c(-c3ncc(C4CC4)s3)cc12
InChIInChI=1S/C13H12N4S/c14-9-3-4-15-12-8(9)5-10(17-12)13-16-6-11(18-13)7-1-2-7/h3-7H,1-2H2,(H3,14,15,17)
InChIKeyAHTHWHAJMIMVNU-UHFFFAOYSA-N
XLogP3.15
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopropyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of 2-(5-cyclopropyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine (CID 138570504) is 2-(5-cyclopropyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for 2-(5-cyclopropyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for 2-(5-cyclopropyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine is Nc1ccnc2[nH]c(-c3ncc(C4CC4)s3)cc12.
What is the InChIKey of 2-(5-cyclopropyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is AHTHWHAJMIMVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S/c14-9-3-4-15-12-8(9)5-10(17-12)13-16-6-11(18-13)7-1-2-7/h3-7H,1-2H2,(H3,14,15,17).
What are the key properties of 2-(5-cyclopropyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
2-(5-cyclopropyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 256.33 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopropyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 138570504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).