N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)acetamide

C16H10F2N6OS2 — CID 2473481

IUPACN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)acetamide
SMILESO=C(CSc1ncnc2[nH]ncc12)Nc1nc(-c2ccc(F)c(F)c2)cs1
InChIInChI=1S/C16H10F2N6OS2/c17-10-2-1-8(3-11(10)18)12-5-27-16(22-12)23-13(25)6-26-15-9-4-21-24-14(9)19-7-20-15/h1-5,7H,6H2,(H,22,23,25)(H,19,20,21,24)
InChIKeyIVWLBDDQLIVONB-UHFFFAOYSA-N
MW404.43 g/mol
LogP3.49
Rot. Bonds5

About N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)acetamide

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)acetamide (PubChem CID 2473481) has the molecular formula C16H10F2N6OS2 and a molecular weight of 404.43 g/mol. Its IUPAC name is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)acetamide
PubChem CID2473481
Molecular FormulaC16H10F2N6OS2
Molecular Weight404.43 g/mol
Exact Mass404.03
IUPAC NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)acetamide
SMILESO=C(CSc1ncnc2[nH]ncc12)Nc1nc(-c2ccc(F)c(F)c2)cs1
InChIInChI=1S/C16H10F2N6OS2/c17-10-2-1-8(3-11(10)18)12-5-27-16(22-12)23-13(25)6-26-15-9-4-21-24-14(9)19-7-20-15/h1-5,7H,6H2,(H,22,23,25)(H,19,20,21,24)
InChIKeyIVWLBDDQLIVONB-UHFFFAOYSA-N
XLogP3.49
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)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 N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)acetamide?
The IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)acetamide (CID 2473481) is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)acetamide.
What is the SMILES notation for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)acetamide?
The canonical SMILES for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)acetamide is O=C(CSc1ncnc2[nH]ncc12)Nc1nc(-c2ccc(F)c(F)c2)cs1.
What is the InChIKey of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)acetamide?
The InChIKey is IVWLBDDQLIVONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N6OS2/c17-10-2-1-8(3-11(10)18)12-5-27-16(22-12)23-13(25)6-26-15-9-4-21-24-14(9)19-7-20-15/h1-5,7H,6H2,(H,22,23,25)(H,19,20,21,24).
What are the key properties of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)acetamide?
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)acetamide has a molecular weight of 404.43 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)acetamide is sourced from PubChem (CID 2473481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).