2-(2-aminoethyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,3-thiazole-4-carboxamide

C12H16N4O2S — CID 106371235

IUPAC2-(2-aminoethyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCCc1cnc(CNC(=O)c2csc(CCN)n2)o1
InChIInChI=1S/C12H16N4O2S/c1-2-8-5-14-10(18-8)6-15-12(17)9-7-19-11(16-9)3-4-13/h5,7H,2-4,6,13H2,1H3,(H,15,17)
InChIKeyVAKNBTZFDRKFEF-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.12
Rot. Bonds6

About 2-(2-aminoethyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 106371235) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID106371235
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name2-(2-aminoethyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCCc1cnc(CNC(=O)c2csc(CCN)n2)o1
InChIInChI=1S/C12H16N4O2S/c1-2-8-5-14-10(18-8)6-15-12(17)9-7-19-11(16-9)3-4-13/h5,7H,2-4,6,13H2,1H3,(H,15,17)
InChIKeyVAKNBTZFDRKFEF-UHFFFAOYSA-N
XLogP1.12
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 114180825
N,2-bis(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 66389522
2-(2-aminoethyl)-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 129052232
2-(2-aminoethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66375134
2-(2-aminoethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 106397198
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-hydrazinylpyridine-2-carboxamide
CID 106377448
2-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120622750
2-(2-aminoethoxy)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide
CID 106370910
(2S)-2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106371001
2-(2-aminoethyl)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 66390133
2-(2-aminoethyl)-N-(2-methylsulfanylethyl)-1,3-thiazole-4-carboxamide
CID 66388986
2-(2-aminoethyl)-N-(2,3-dimethylbutyl)-1,3-thiazole-4-carboxamide
CID 66390920

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,3-thiazole-4-carboxamide (CID 106371235) is 2-(2-aminoethyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,3-thiazole-4-carboxamide is CCc1cnc(CNC(=O)c2csc(CCN)n2)o1.
What is the InChIKey of 2-(2-aminoethyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is VAKNBTZFDRKFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-2-8-5-14-10(18-8)6-15-12(17)9-7-19-11(16-9)3-4-13/h5,7H,2-4,6,13H2,1H3,(H,15,17).
What are the key properties of 2-(2-aminoethyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 280.35 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 106371235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).