N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide

C10H17N3OS — CID 64557249

IUPACN-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
SMILESCC(N)c1csc(NC(=O)C(C)(C)C)n1
InChIInChI=1S/C10H17N3OS/c1-6(11)7-5-15-9(12-7)13-8(14)10(2,3)4/h5-6H,11H2,1-4H3,(H,12,13,14)
InChIKeyKVXOYZWBUQDZAC-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.15
Rot. Bonds2

About N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide

N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide (PubChem CID 64557249) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
PubChem CID64557249
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC NameN-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
SMILESCC(N)c1csc(NC(=O)C(C)(C)C)n1
InChIInChI=1S/C10H17N3OS/c1-6(11)7-5-15-9(12-7)13-8(14)10(2,3)4/h5-6H,11H2,1-4H3,(H,12,13,14)
InChIKeyKVXOYZWBUQDZAC-UHFFFAOYSA-N
XLogP2.15
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide (CID 64557249) is N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide is CC(N)c1csc(NC(=O)C(C)(C)C)n1.
What is the InChIKey of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The InChIKey is KVXOYZWBUQDZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-6(11)7-5-15-9(12-7)13-8(14)10(2,3)4/h5-6H,11H2,1-4H3,(H,12,13,14).
What are the key properties of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide has a molecular weight of 227.33 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 64557249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).