2-[(3-amino-1,2-thiazol-5-yl)amino]-N-ethyl-N-methylpropanamide

C9H16N4OS — CID 103365954

IUPAC2-[(3-amino-1,2-thiazol-5-yl)amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)Nc1cc(N)ns1
InChIInChI=1S/C9H16N4OS/c1-4-13(3)9(14)6(2)11-8-5-7(10)12-15-8/h5-6,11H,4H2,1-3H3,(H2,10,12)
InChIKeyNPVVHYKKXHIKME-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.00
Rot. Bonds4

About 2-[(3-amino-1,2-thiazol-5-yl)amino]-N-ethyl-N-methylpropanamide

2-[(3-amino-1,2-thiazol-5-yl)amino]-N-ethyl-N-methylpropanamide (PubChem CID 103365954) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-[(3-amino-1,2-thiazol-5-yl)amino]-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-[(3-amino-1,2-thiazol-5-yl)amino]-N-ethyl-N-methylpropanamide
PubChem CID103365954
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC Name2-[(3-amino-1,2-thiazol-5-yl)amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)Nc1cc(N)ns1
InChIInChI=1S/C9H16N4OS/c1-4-13(3)9(14)6(2)11-8-5-7(10)12-15-8/h5-6,11H,4H2,1-3H3,(H2,10,12)
InChIKeyNPVVHYKKXHIKME-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-1,2-thiazol-5-yl)amino]-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-[(3-amino-1,2-thiazol-5-yl)amino]-N-ethyl-N-methylpropanamide (CID 103365954) is 2-[(3-amino-1,2-thiazol-5-yl)amino]-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-[(3-amino-1,2-thiazol-5-yl)amino]-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-[(3-amino-1,2-thiazol-5-yl)amino]-N-ethyl-N-methylpropanamide is CCN(C)C(=O)C(C)Nc1cc(N)ns1.
What is the InChIKey of 2-[(3-amino-1,2-thiazol-5-yl)amino]-N-ethyl-N-methylpropanamide?
The InChIKey is NPVVHYKKXHIKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-4-13(3)9(14)6(2)11-8-5-7(10)12-15-8/h5-6,11H,4H2,1-3H3,(H2,10,12).
What are the key properties of 2-[(3-amino-1,2-thiazol-5-yl)amino]-N-ethyl-N-methylpropanamide?
2-[(3-amino-1,2-thiazol-5-yl)amino]-N-ethyl-N-methylpropanamide has a molecular weight of 228.32 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-1,2-thiazol-5-yl)amino]-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 103365954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).