N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(2-amino-1,3-thiazol-4-yl)acetamide

C10H12N6O2S — CID 62797648

IUPACN-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(2-amino-1,3-thiazol-4-yl)acetamide
SMILESNC(=O)Cn1cc(NC(=O)Cc2csc(N)n2)cn1
InChIInChI=1S/C10H12N6O2S/c11-8(17)4-16-3-7(2-13-16)14-9(18)1-6-5-19-10(12)15-6/h2-3,5H,1,4H2,(H2,11,17)(H2,12,15)(H,14,18)
InChIKeySJEOYKPUAPPPIC-UHFFFAOYSA-N
MW280.31 g/mol
LogP-0.41
Rot. Bonds5

About N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(2-amino-1,3-thiazol-4-yl)acetamide

N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(2-amino-1,3-thiazol-4-yl)acetamide (PubChem CID 62797648) has the molecular formula C10H12N6O2S and a molecular weight of 280.31 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(2-amino-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(2-amino-1,3-thiazol-4-yl)acetamide
PubChem CID62797648
Molecular FormulaC10H12N6O2S
Molecular Weight280.31 g/mol
Exact Mass280.07
IUPAC NameN-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(2-amino-1,3-thiazol-4-yl)acetamide
SMILESNC(=O)Cn1cc(NC(=O)Cc2csc(N)n2)cn1
InChIInChI=1S/C10H12N6O2S/c11-8(17)4-16-3-7(2-13-16)14-9(18)1-6-5-19-10(12)15-6/h2-3,5H,1,4H2,(H2,11,17)(H2,12,15)(H,14,18)
InChIKeySJEOYKPUAPPPIC-UHFFFAOYSA-N
XLogP-0.41
TPSA128.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(2-amino-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(2-amino-1,3-thiazol-4-yl)acetamide (CID 62797648) is N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(2-amino-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(2-amino-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(2-amino-1,3-thiazol-4-yl)acetamide is NC(=O)Cn1cc(NC(=O)Cc2csc(N)n2)cn1.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(2-amino-1,3-thiazol-4-yl)acetamide?
The InChIKey is SJEOYKPUAPPPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2S/c11-8(17)4-16-3-7(2-13-16)14-9(18)1-6-5-19-10(12)15-6/h2-3,5H,1,4H2,(H2,11,17)(H2,12,15)(H,14,18).
What are the key properties of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(2-amino-1,3-thiazol-4-yl)acetamide?
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(2-amino-1,3-thiazol-4-yl)acetamide has a molecular weight of 280.31 g/mol, XLogP of -0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(2-amino-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 62797648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).