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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1H-Imidazol-4-ylmethyl)-4-phenyl-thiazole
CID 14742545
Imidazopyridine 10e
CID 5329344
Imidazopyridine 10f
CID 5329345
6-(thiophen-3-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538803
8-Thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 25190908
1-[2-(1H-Indol-3-yl)-ethyl]-3-thiazol-2-yl-thiourea
CID 9857574
N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 2509600
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methylpyridin-2-yl)-1,3-thiazol-2-amine
CID 3157523
N-(4-(pyridin-3-yl)thiazol-2-yl)pyridin-2-amine
CID 704624
4-(1H-indol-3-yl)-1,3-thiazol-2-amine
CID 804966
N-phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 2823823
[2-(1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazol-4-yl]methanol
CID 56912725

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).