2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide

C12H17N5OS — CID 82547706

IUPAC2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide
SMILESCC(N)c1nc(CC(=O)NCc2cnn(C)c2)cs1
InChIInChI=1S/C12H17N5OS/c1-8(13)12-16-10(7-19-12)3-11(18)14-4-9-5-15-17(2)6-9/h5-8H,3-4,13H2,1-2H3,(H,14,18)
InChIKeyLEXAZZKZRKLWCE-UHFFFAOYSA-N
MW279.37 g/mol
LogP0.76
Rot. Bonds5

About 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide

2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide (PubChem CID 82547706) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide
PubChem CID82547706
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide
SMILESCC(N)c1nc(CC(=O)NCc2cnn(C)c2)cs1
InChIInChI=1S/C12H17N5OS/c1-8(13)12-16-10(7-19-12)3-11(18)14-4-9-5-15-17(2)6-9/h5-8H,3-4,13H2,1-2H3,(H,14,18)
InChIKeyLEXAZZKZRKLWCE-UHFFFAOYSA-N
XLogP0.76
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 82547707
2-(2-amino-1,3-thiazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 55119886
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 82547688
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide
CID 82547633
ethyl 2-[[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]amino]acetate
CID 82547812
4-[[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 82547802
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-[2-(diethylamino)ethyl]acetamide
CID 82547658
N-[(1-methylpyrazol-4-yl)methyl]-2-thiophen-2-ylacetamide
CID 35524940
N-(furan-3-ylmethyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 47056486
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]acetamide
CID 75465076
2-[2-[(1-methylpyrazol-4-yl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 80575860
N-[(4-tert-butylphenyl)methyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 90758793

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide (CID 82547706) is 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide is CC(N)c1nc(CC(=O)NCc2cnn(C)c2)cs1.
What is the InChIKey of 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
The InChIKey is LEXAZZKZRKLWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-8(13)12-16-10(7-19-12)3-11(18)14-4-9-5-15-17(2)6-9/h5-8H,3-4,13H2,1-2H3,(H,14,18).
What are the key properties of 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide has a molecular weight of 279.37 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 82547706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).