1-[[5-[4-[1-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]amino]propan-2-one

C17H21N7OS2 — CID 130384534

IUPAC1-[[5-[4-[1-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]amino]propan-2-one
SMILESCC(=O)CNc1nnc(N2CCN(C(C)c3nc4ncccc4s3)CC2)s1
InChIInChI=1S/C17H21N7OS2/c1-11(25)10-19-16-21-22-17(27-16)24-8-6-23(7-9-24)12(2)15-20-14-13(26-15)4-3-5-18-14/h3-5,12H,6-10H2,1-2H3,(H,19,21)
InChIKeyOWIUUSDALBTNSH-UHFFFAOYSA-N
MW403.54 g/mol
LogP2.43
Rot. Bonds6

About 1-[[5-[4-[1-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]amino]propan-2-one

1-[[5-[4-[1-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]amino]propan-2-one (PubChem CID 130384534) has the molecular formula C17H21N7OS2 and a molecular weight of 403.54 g/mol. Its IUPAC name is 1-[[5-[4-[1-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]amino]propan-2-one.

Molecular Properties

Compound Name1-[[5-[4-[1-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]amino]propan-2-one
PubChem CID130384534
Molecular FormulaC17H21N7OS2
Molecular Weight403.54 g/mol
Exact Mass403.12
IUPAC Name1-[[5-[4-[1-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]amino]propan-2-one
SMILESCC(=O)CNc1nnc(N2CCN(C(C)c3nc4ncccc4s3)CC2)s1
InChIInChI=1S/C17H21N7OS2/c1-11(25)10-19-16-21-22-17(27-16)24-8-6-23(7-9-24)12(2)15-20-14-13(26-15)4-3-5-18-14/h3-5,12H,6-10H2,1-2H3,(H,19,21)
InChIKeyOWIUUSDALBTNSH-UHFFFAOYSA-N
XLogP2.43
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.54
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 1-[[5-[4-[1-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]amino]propan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-[4-[1-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]amino]propan-2-one?
The IUPAC name of 1-[[5-[4-[1-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]amino]propan-2-one (CID 130384534) is 1-[[5-[4-[1-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]amino]propan-2-one.
What is the SMILES notation for 1-[[5-[4-[1-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]amino]propan-2-one?
The canonical SMILES for 1-[[5-[4-[1-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]amino]propan-2-one is CC(=O)CNc1nnc(N2CCN(C(C)c3nc4ncccc4s3)CC2)s1.
What is the InChIKey of 1-[[5-[4-[1-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]amino]propan-2-one?
The InChIKey is OWIUUSDALBTNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7OS2/c1-11(25)10-19-16-21-22-17(27-16)24-8-6-23(7-9-24)12(2)15-20-14-13(26-15)4-3-5-18-14/h3-5,12H,6-10H2,1-2H3,(H,19,21).
What are the key properties of 1-[[5-[4-[1-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]amino]propan-2-one?
1-[[5-[4-[1-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]amino]propan-2-one has a molecular weight of 403.54 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[4-[1-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]amino]propan-2-one is sourced from PubChem (CID 130384534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).