2-[3-[(6-chloro-5H-imidazo[2,1-b][1,3]thiazol-6-yl)sulfonyl]pyrrolo[2,3-b]pyridin-1-yl]ethanamine

C14H14ClN5O2S2 — CID 69497639

IUPAC2-[3-[(6-chloro-5H-imidazo[2,1-b][1,3]thiazol-6-yl)sulfonyl]pyrrolo[2,3-b]pyridin-1-yl]ethanamine
SMILESNCCn1cc(S(=O)(=O)C2(Cl)CN3C=CSC3=N2)c2cccnc21
InChIInChI=1S/C14H14ClN5O2S2/c15-14(9-20-6-7-23-13(20)18-14)24(21,22)11-8-19(5-3-16)12-10(11)2-1-4-17-12/h1-2,4,6-8H,3,5,9,16H2
InChIKeyMSEYCGSXWRTKHH-UHFFFAOYSA-N
MW383.89 g/mol
LogP1.55
Rot. Bonds4

About 2-[3-[(6-chloro-5H-imidazo[2,1-b][1,3]thiazol-6-yl)sulfonyl]pyrrolo[2,3-b]pyridin-1-yl]ethanamine

2-[3-[(6-chloro-5H-imidazo[2,1-b][1,3]thiazol-6-yl)sulfonyl]pyrrolo[2,3-b]pyridin-1-yl]ethanamine (PubChem CID 69497639) has the molecular formula C14H14ClN5O2S2 and a molecular weight of 383.89 g/mol. Its IUPAC name is 2-[3-[(6-chloro-5H-imidazo[2,1-b][1,3]thiazol-6-yl)sulfonyl]pyrrolo[2,3-b]pyridin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[3-[(6-chloro-5H-imidazo[2,1-b][1,3]thiazol-6-yl)sulfonyl]pyrrolo[2,3-b]pyridin-1-yl]ethanamine
PubChem CID69497639
Molecular FormulaC14H14ClN5O2S2
Molecular Weight383.89 g/mol
Exact Mass383.03
IUPAC Name2-[3-[(6-chloro-5H-imidazo[2,1-b][1,3]thiazol-6-yl)sulfonyl]pyrrolo[2,3-b]pyridin-1-yl]ethanamine
SMILESNCCn1cc(S(=O)(=O)C2(Cl)CN3C=CSC3=N2)c2cccnc21
InChIInChI=1S/C14H14ClN5O2S2/c15-14(9-20-6-7-23-13(20)18-14)24(21,22)11-8-19(5-3-16)12-10(11)2-1-4-17-12/h1-2,4,6-8H,3,5,9,16H2
InChIKeyMSEYCGSXWRTKHH-UHFFFAOYSA-N
XLogP1.55
TPSA93.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.89
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 2-[3-[(6-chloro-5H-imidazo[2,1-b][1,3]thiazol-6-yl)sulfonyl]pyrrolo[2,3-b]pyridin-1-yl]ethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(6-chloro-5H-imidazo[2,1-b][1,3]thiazol-6-yl)sulfonyl]pyrrolo[2,3-b]pyridin-1-yl]ethanamine?
The IUPAC name of 2-[3-[(6-chloro-5H-imidazo[2,1-b][1,3]thiazol-6-yl)sulfonyl]pyrrolo[2,3-b]pyridin-1-yl]ethanamine (CID 69497639) is 2-[3-[(6-chloro-5H-imidazo[2,1-b][1,3]thiazol-6-yl)sulfonyl]pyrrolo[2,3-b]pyridin-1-yl]ethanamine.
What is the SMILES notation for 2-[3-[(6-chloro-5H-imidazo[2,1-b][1,3]thiazol-6-yl)sulfonyl]pyrrolo[2,3-b]pyridin-1-yl]ethanamine?
The canonical SMILES for 2-[3-[(6-chloro-5H-imidazo[2,1-b][1,3]thiazol-6-yl)sulfonyl]pyrrolo[2,3-b]pyridin-1-yl]ethanamine is NCCn1cc(S(=O)(=O)C2(Cl)CN3C=CSC3=N2)c2cccnc21.
What is the InChIKey of 2-[3-[(6-chloro-5H-imidazo[2,1-b][1,3]thiazol-6-yl)sulfonyl]pyrrolo[2,3-b]pyridin-1-yl]ethanamine?
The InChIKey is MSEYCGSXWRTKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5O2S2/c15-14(9-20-6-7-23-13(20)18-14)24(21,22)11-8-19(5-3-16)12-10(11)2-1-4-17-12/h1-2,4,6-8H,3,5,9,16H2.
What are the key properties of 2-[3-[(6-chloro-5H-imidazo[2,1-b][1,3]thiazol-6-yl)sulfonyl]pyrrolo[2,3-b]pyridin-1-yl]ethanamine?
2-[3-[(6-chloro-5H-imidazo[2,1-b][1,3]thiazol-6-yl)sulfonyl]pyrrolo[2,3-b]pyridin-1-yl]ethanamine has a molecular weight of 383.89 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(6-chloro-5H-imidazo[2,1-b][1,3]thiazol-6-yl)sulfonyl]pyrrolo[2,3-b]pyridin-1-yl]ethanamine is sourced from PubChem (CID 69497639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).