N-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide

C13H15N5O2S — CID 90525208

IUPACN-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
SMILESCC(=O)Nc1nc2c(s1)CN(C(=O)Cn1cccn1)CC2
InChIInChI=1S/C13H15N5O2S/c1-9(19)15-13-16-10-3-6-17(7-11(10)21-13)12(20)8-18-5-2-4-14-18/h2,4-5H,3,6-8H2,1H3,(H,15,16,19)
InChIKeyOKRNIAAXFYCFHI-UHFFFAOYSA-N
MW305.36 g/mol
LogP0.88
Rot. Bonds3

About N-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide

N-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide (PubChem CID 90525208) has the molecular formula C13H15N5O2S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
PubChem CID90525208
Molecular FormulaC13H15N5O2S
Molecular Weight305.36 g/mol
Exact Mass305.09
IUPAC NameN-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
SMILESCC(=O)Nc1nc2c(s1)CN(C(=O)Cn1cccn1)CC2
InChIInChI=1S/C13H15N5O2S/c1-9(19)15-13-16-10-3-6-17(7-11(10)21-13)12(20)8-18-5-2-4-14-18/h2,4-5H,3,6-8H2,1H3,(H,15,16,19)
InChIKeyOKRNIAAXFYCFHI-UHFFFAOYSA-N
XLogP0.88
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide?
The IUPAC name of N-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide (CID 90525208) is N-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide.
What is the SMILES notation for N-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide?
The canonical SMILES for N-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide is CC(=O)Nc1nc2c(s1)CN(C(=O)Cn1cccn1)CC2.
What is the InChIKey of N-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide?
The InChIKey is OKRNIAAXFYCFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2S/c1-9(19)15-13-16-10-3-6-17(7-11(10)21-13)12(20)8-18-5-2-4-14-18/h2,4-5H,3,6-8H2,1H3,(H,15,16,19).
What are the key properties of N-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide?
N-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide has a molecular weight of 305.36 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide is sourced from PubChem (CID 90525208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).