N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)butan-2-amine

C13H25N3OS — CID 66390190

IUPACN-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)butan-2-amine
SMILESCCC(C)N(CCOC)Cc1csc(C(C)N)n1
InChIInChI=1S/C13H25N3OS/c1-5-10(2)16(6-7-17-4)8-12-9-18-13(15-12)11(3)14/h9-11H,5-8,14H2,1-4H3
InChIKeyWACQARIKFSSGGP-UHFFFAOYSA-N
MW271.43 g/mol
LogP2.41
Rot. Bonds8

About N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)butan-2-amine

N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)butan-2-amine (PubChem CID 66390190) has the molecular formula C13H25N3OS and a molecular weight of 271.43 g/mol. Its IUPAC name is N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)butan-2-amine.

Molecular Properties

Compound NameN-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)butan-2-amine
PubChem CID66390190
Molecular FormulaC13H25N3OS
Molecular Weight271.43 g/mol
Exact Mass271.17
IUPAC NameN-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)butan-2-amine
SMILESCCC(C)N(CCOC)Cc1csc(C(C)N)n1
InChIInChI=1S/C13H25N3OS/c1-5-10(2)16(6-7-17-4)8-12-9-18-13(15-12)11(3)14/h9-11H,5-8,14H2,1-4H3
InChIKeyWACQARIKFSSGGP-UHFFFAOYSA-N
XLogP2.41
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)pentan-3-amine
CID 66390376
N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-1-methoxypropan-2-amine
CID 66390563
6-[[butan-2-yl(2-methoxyethyl)amino]methyl]pyridin-2-amine
CID 79244015
(1R)-1-(4-ethyl-1,3-thiazol-2-yl)ethanamine
CID 42077975
N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 66388632
2-(1-aminoethyl)-N-(2-methoxyethyl)-N-pentan-3-yl-1,3-thiazole-4-carboxamide
CID 66390440
2-(1-aminoethyl)-N-(2-methoxyethyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 82949262
N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 112661039
2-[[butan-2-yl(2-methoxyethyl)amino]methyl]quinolin-4-amine
CID 115485824
2-[2-methoxyethyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]acetic acid
CID 54969150
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-(2-methoxyethyl)butan-2-amine
CID 106906356
N-[[4-(aminomethyl)phenyl]methyl]-N-(2-methoxyethyl)butan-2-amine
CID 55001040

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)butan-2-amine?
The IUPAC name of N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)butan-2-amine (CID 66390190) is N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)butan-2-amine.
What is the SMILES notation for N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)butan-2-amine?
The canonical SMILES for N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)butan-2-amine is CCC(C)N(CCOC)Cc1csc(C(C)N)n1.
What is the InChIKey of N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)butan-2-amine?
The InChIKey is WACQARIKFSSGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3OS/c1-5-10(2)16(6-7-17-4)8-12-9-18-13(15-12)11(3)14/h9-11H,5-8,14H2,1-4H3.
What are the key properties of N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)butan-2-amine?
N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)butan-2-amine has a molecular weight of 271.43 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)butan-2-amine is sourced from PubChem (CID 66390190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).