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

C11H10N6S — CID 53269660

IUPAC2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]guanidine
SMILESNC(N)=Nc1nc(-c2c[nH]c3ncccc23)cs1
InChIInChI=1S/C11H10N6S/c12-10(13)17-11-16-8(5-18-11)7-4-15-9-6(7)2-1-3-14-9/h1-5H,(H,14,15)(H4,12,13,16,17)
InChIKeyOXKWEMNPEHZZAZ-UHFFFAOYSA-N
MW258.31 g/mol
LogP1.59
Rot. Bonds2

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

2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]guanidine (PubChem CID 53269660) has the molecular formula C11H10N6S and a molecular weight of 258.31 g/mol. Its IUPAC name is 2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]guanidine.

Molecular Properties

Compound Name2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]guanidine
PubChem CID53269660
Molecular FormulaC11H10N6S
Molecular Weight258.31 g/mol
Exact Mass258.07
IUPAC Name2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]guanidine
SMILESNC(N)=Nc1nc(-c2c[nH]c3ncccc23)cs1
InChIInChI=1S/C11H10N6S/c12-10(13)17-11-16-8(5-18-11)7-4-15-9-6(7)2-1-3-14-9/h1-5H,(H,14,15)(H4,12,13,16,17)
InChIKeyOXKWEMNPEHZZAZ-UHFFFAOYSA-N
XLogP1.59
TPSA105.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]guanidine?
The IUPAC name of 2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]guanidine (CID 53269660) is 2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]guanidine.
What is the SMILES notation for 2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]guanidine?
The canonical SMILES for 2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]guanidine is NC(N)=Nc1nc(-c2c[nH]c3ncccc23)cs1.
What is the InChIKey of 2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]guanidine?
The InChIKey is OXKWEMNPEHZZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6S/c12-10(13)17-11-16-8(5-18-11)7-4-15-9-6(7)2-1-3-14-9/h1-5H,(H,14,15)(H4,12,13,16,17).
What are the key properties of 2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]guanidine?
2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]guanidine has a molecular weight of 258.31 g/mol, XLogP of 1.59, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]guanidine is sourced from PubChem (CID 53269660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).