2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide

C22H19N7O2S — CID 90683820

IUPAC2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3cn4ccsc4n3)c2)c2cncnc21
InChIInChI=1S/C22H19N7O2S/c1-13(2)29-11-18(17-9-24-12-25-21(17)29)20(31)14-5-15(8-23-7-14)26-19(30)6-16-10-28-3-4-32-22(28)27-16/h3-5,7-13H,6H2,1-2H3,(H,26,30)
InChIKeyCAJNQJPKQQPNOZ-UHFFFAOYSA-N
MW445.51 g/mol
LogP3.53
Rot. Bonds6

About 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide

2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide (PubChem CID 90683820) has the molecular formula C22H19N7O2S and a molecular weight of 445.51 g/mol. Its IUPAC name is 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
PubChem CID90683820
Molecular FormulaC22H19N7O2S
Molecular Weight445.51 g/mol
Exact Mass445.13
IUPAC Name2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3cn4ccsc4n3)c2)c2cncnc21
InChIInChI=1S/C22H19N7O2S/c1-13(2)29-11-18(17-9-24-12-25-21(17)29)20(31)14-5-15(8-23-7-14)26-19(30)6-16-10-28-3-4-32-22(28)27-16/h3-5,7-13H,6H2,1-2H3,(H,26,30)
InChIKeyCAJNQJPKQQPNOZ-UHFFFAOYSA-N
XLogP3.53
TPSA107.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.51
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide 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-imidazo[2,1-b][1,3]thiazol-6-yl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide (CID 90683820) is 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide is CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3cn4ccsc4n3)c2)c2cncnc21.
What is the InChIKey of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The InChIKey is CAJNQJPKQQPNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O2S/c1-13(2)29-11-18(17-9-24-12-25-21(17)29)20(31)14-5-15(8-23-7-14)26-19(30)6-16-10-28-3-4-32-22(28)27-16/h3-5,7-13H,6H2,1-2H3,(H,26,30).
What are the key properties of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide has a molecular weight of 445.51 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 90683820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).