3-[(5-amino-1,3-thiazol-2-yl)-methylamino]-N,2-dimethylpropanamide

C9H16N4OS — CID 106914413

IUPAC3-[(5-amino-1,3-thiazol-2-yl)-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)c1ncc(N)s1
InChIInChI=1S/C9H16N4OS/c1-6(8(14)11-2)5-13(3)9-12-4-7(10)15-9/h4,6H,5,10H2,1-3H3,(H,11,14)
InChIKeyFHGKIXPNPRFWQC-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.54
Rot. Bonds4

About 3-[(5-amino-1,3-thiazol-2-yl)-methylamino]-N,2-dimethylpropanamide

3-[(5-amino-1,3-thiazol-2-yl)-methylamino]-N,2-dimethylpropanamide (PubChem CID 106914413) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 3-[(5-amino-1,3-thiazol-2-yl)-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(5-amino-1,3-thiazol-2-yl)-methylamino]-N,2-dimethylpropanamide
PubChem CID106914413
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC Name3-[(5-amino-1,3-thiazol-2-yl)-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)c1ncc(N)s1
InChIInChI=1S/C9H16N4OS/c1-6(8(14)11-2)5-13(3)9-12-4-7(10)15-9/h4,6H,5,10H2,1-3H3,(H,11,14)
InChIKeyFHGKIXPNPRFWQC-UHFFFAOYSA-N
XLogP0.54
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-3-[(5-amino-3-pyridinyl)-methylamino]-N,2-dimethylpropanamide
CID 124681136
4-[(5-amino-1,3-thiazol-2-yl)-methylamino]butan-2-ol
CID 102769067
5-amino-6-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylic acid
CID 106917773
3-(2-amino-N-methylanilino)-N,2-dimethylpropanamide
CID 106914261
N,2-dimethyl-3-[methyl-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 133485309
3-[[3-(aminomethyl)-2-pyridinyl]-methylamino]-N,2-dimethylpropanamide
CID 106914478
3-[(6-amino-3-pyridinyl)methyl-methylamino]-N,2-dimethylpropanamide
CID 104870323
2-N-(2,2-dimethylpropyl)-2-N-methyl-1,3-thiazole-2,5-diamine
CID 102768170
4-amino-2-[ethyl(methyl)amino]-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-1,3-thiazole-5-carboxamide
CID 106918874
3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide
CID 106918785
(2S)-3-[(5-bromo-3-fluoro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide
CID 124678709
N,2-dimethyl-3-[methyl-(6-oxo-1H-pyridazin-4-yl)amino]propanamide
CID 106918884

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-1,3-thiazol-2-yl)-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[(5-amino-1,3-thiazol-2-yl)-methylamino]-N,2-dimethylpropanamide (CID 106914413) is 3-[(5-amino-1,3-thiazol-2-yl)-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[(5-amino-1,3-thiazol-2-yl)-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[(5-amino-1,3-thiazol-2-yl)-methylamino]-N,2-dimethylpropanamide is CNC(=O)C(C)CN(C)c1ncc(N)s1.
What is the InChIKey of 3-[(5-amino-1,3-thiazol-2-yl)-methylamino]-N,2-dimethylpropanamide?
The InChIKey is FHGKIXPNPRFWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-6(8(14)11-2)5-13(3)9-12-4-7(10)15-9/h4,6H,5,10H2,1-3H3,(H,11,14).
What are the key properties of 3-[(5-amino-1,3-thiazol-2-yl)-methylamino]-N,2-dimethylpropanamide?
3-[(5-amino-1,3-thiazol-2-yl)-methylamino]-N,2-dimethylpropanamide has a molecular weight of 228.32 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-1,3-thiazol-2-yl)-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 106914413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).