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

C12H20N4O2S — CID 103109128

IUPAC2-(1-aminoethyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide
SMILESCCN(C)C(=O)C(C)NC(=O)c1csc(C(C)N)n1
InChIInChI=1S/C12H20N4O2S/c1-5-16(4)12(18)8(3)14-10(17)9-6-19-11(15-9)7(2)13/h6-8H,5,13H2,1-4H3,(H,14,17)
InChIKeyVYLQJCOEKXWOES-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.76
Rot. Bonds5

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

2-(1-aminoethyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide (PubChem CID 103109128) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminoethyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide
PubChem CID103109128
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name2-(1-aminoethyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide
SMILESCCN(C)C(=O)C(C)NC(=O)c1csc(C(C)N)n1
InChIInChI=1S/C12H20N4O2S/c1-5-16(4)12(18)8(3)14-10(17)9-6-19-11(15-9)7(2)13/h6-8H,5,13H2,1-4H3,(H,14,17)
InChIKeyVYLQJCOEKXWOES-UHFFFAOYSA-N
XLogP0.76
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-aminoethyl)-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-1,3-thiazole-4-carboxamide
CID 66389833
2-(1-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide
CID 66374745
2-(1-aminoethyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 66375369
2-(1-aminoethyl)-N-hydroxy-1,3-thiazole-4-carboxamide
CID 66389377
methyl 2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-3-methylpentanoate
CID 66388109
2-(1-aminoethyl)-N-(6-methylheptan-2-yl)-1,3-thiazole-4-carboxamide
CID 66390481
2-(1-aminoethyl)-N-[3-(dimethylamino)propyl]-1,3-thiazole-4-carboxamide
CID 66374195
2-[(1S)-1-[[2-[(1S)-1-aminoethyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid;hydrochloride
CID 16720895
2-(1-aminoethyl)-N-[2-(dimethylamino)-3-ethylpentyl]-1,3-thiazole-4-carboxamide
CID 66388934
2-(1-aminoethyl)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
CID 66389189
2-(1-aminoethyl)-N-[(1S)-1-phenylethyl]-1,3-thiazole-4-carboxamide
CID 66388213
(2R)-5-amino-2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-5-oxopentanoic acid
CID 107830223

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-aminoethyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide (CID 103109128) is 2-(1-aminoethyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminoethyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-aminoethyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide is CCN(C)C(=O)C(C)NC(=O)c1csc(C(C)N)n1.
What is the InChIKey of 2-(1-aminoethyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is VYLQJCOEKXWOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-5-16(4)12(18)8(3)14-10(17)9-6-19-11(15-9)7(2)13/h6-8H,5,13H2,1-4H3,(H,14,17).
What are the key properties of 2-(1-aminoethyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide?
2-(1-aminoethyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 284.38 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 103109128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).