2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)acetamide

C14H12N6OS — CID 138380152

IUPAC2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)acetamide
SMILESO=C(Cc1cn2ccsc2n1)NCc1[nH]nc2ncccc12
InChIInChI=1S/C14H12N6OS/c21-12(6-9-8-20-4-5-22-14(20)17-9)16-7-11-10-2-1-3-15-13(10)19-18-11/h1-5,8H,6-7H2,(H,16,21)(H,15,18,19)
InChIKeyKTEHDTFIVQJEBM-UHFFFAOYSA-N
MW312.36 g/mol
LogP1.53
Rot. Bonds4

About 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)acetamide

2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)acetamide (PubChem CID 138380152) has the molecular formula C14H12N6OS and a molecular weight of 312.36 g/mol. Its IUPAC name is 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)acetamide
PubChem CID138380152
Molecular FormulaC14H12N6OS
Molecular Weight312.36 g/mol
Exact Mass312.08
IUPAC Name2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)acetamide
SMILESO=C(Cc1cn2ccsc2n1)NCc1[nH]nc2ncccc12
InChIInChI=1S/C14H12N6OS/c21-12(6-9-8-20-4-5-22-14(20)17-9)16-7-11-10-2-1-3-15-13(10)19-18-11/h1-5,8H,6-7H2,(H,16,21)(H,15,18,19)
InChIKeyKTEHDTFIVQJEBM-UHFFFAOYSA-N
XLogP1.53
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(pyridin-3-ylmethyl)acetamide
CID 35511835
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2-nitrophenyl)acetamide
CID 134027757
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
CID 35859078
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(2-phenylmethoxyphenyl)methyl]acetamide
CID 55806275
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[2-(propoxymethyl)phenyl]methyl]acetamide
CID 87006464
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2-phenoxyethyl)acetamide
CID 32933501
N-[4-[[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]methyl]phenyl]butanamide
CID 55781902
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-phenylsulfanylacetamide
CID 52569566
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 51115677
2-(2,5-dioxoimidazolidin-1-yl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)acetamide
CID 138385422
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 134025216
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-phenylacetamide
CID 4623847

Frequently Asked Questions

What is the IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)acetamide (CID 138380152) is 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)acetamide is O=C(Cc1cn2ccsc2n1)NCc1[nH]nc2ncccc12.
What is the InChIKey of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)acetamide?
The InChIKey is KTEHDTFIVQJEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6OS/c21-12(6-9-8-20-4-5-22-14(20)17-9)16-7-11-10-2-1-3-15-13(10)19-18-11/h1-5,8H,6-7H2,(H,16,21)(H,15,18,19).
What are the key properties of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)acetamide?
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)acetamide has a molecular weight of 312.36 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 138380152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).