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

C12H16N4O2S — CID 106388301

IUPAC2-(2-aminoethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1cnc(C(C)NC(=O)c2csc(CCN)n2)o1
InChIInChI=1S/C12H16N4O2S/c1-7-5-14-12(18-7)8(2)15-11(17)9-6-19-10(16-9)3-4-13/h5-6,8H,3-4,13H2,1-2H3,(H,15,17)
InChIKeyIQEFIMYATSFTKT-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.43
Rot. Bonds5

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

2-(2-aminoethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 106388301) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID106388301
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name2-(2-aminoethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1cnc(C(C)NC(=O)c2csc(CCN)n2)o1
InChIInChI=1S/C12H16N4O2S/c1-7-5-14-12(18-7)8(2)15-11(17)9-6-19-10(16-9)3-4-13/h5-6,8H,3-4,13H2,1-2H3,(H,15,17)
InChIKeyIQEFIMYATSFTKT-UHFFFAOYSA-N
XLogP1.43
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-aminoethyl)-N-[(1S)-1-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81356924
2-(2-aminoethyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81368658
2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide
CID 66374744
2-(2-aminoethyl)-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 66389625
2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120615972
2-(2-aminoethyl)-N-(2-methylpentan-3-yl)-1,3-thiazole-4-carboxamide
CID 66389532
methyl (2R)-2-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]propanoate;hydrochloride
CID 120632197
2-(2-aminoethyl)-N-(1-ethylsulfonylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 120633185
2-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-3-hydroxybutanoic acid
CID 66391042
2-(2-aminoethyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 66372668
2-(2-aminoethyl)-N-[1-(2,5-difluorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 66389448
2-(2-aminoethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 120620294

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide (CID 106388301) is 2-(2-aminoethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide is Cc1cnc(C(C)NC(=O)c2csc(CCN)n2)o1.
What is the InChIKey of 2-(2-aminoethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is IQEFIMYATSFTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-7-5-14-12(18-7)8(2)15-11(17)9-6-19-10(16-9)3-4-13/h5-6,8H,3-4,13H2,1-2H3,(H,15,17).
What are the key properties of 2-(2-aminoethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 280.35 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 106388301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).