N-(2-methoxyethyl)-5-(methylaminomethyl)-N-pentan-3-yl-1,3-thiazol-2-amine

C13H25N3OS — CID 55112407

IUPACN-(2-methoxyethyl)-5-(methylaminomethyl)-N-pentan-3-yl-1,3-thiazol-2-amine
SMILESCCC(CC)N(CCOC)c1ncc(CNC)s1
InChIInChI=1S/C13H25N3OS/c1-5-11(6-2)16(7-8-17-4)13-15-10-12(18-13)9-14-3/h10-11,14H,5-9H2,1-4H3
InChIKeyFOKINDLXYKWCFN-UHFFFAOYSA-N
MW271.43 g/mol
LogP2.50
Rot. Bonds9

About N-(2-methoxyethyl)-5-(methylaminomethyl)-N-pentan-3-yl-1,3-thiazol-2-amine

N-(2-methoxyethyl)-5-(methylaminomethyl)-N-pentan-3-yl-1,3-thiazol-2-amine (PubChem CID 55112407) has the molecular formula C13H25N3OS and a molecular weight of 271.43 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-(methylaminomethyl)-N-pentan-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-(methylaminomethyl)-N-pentan-3-yl-1,3-thiazol-2-amine
PubChem CID55112407
Molecular FormulaC13H25N3OS
Molecular Weight271.43 g/mol
Exact Mass271.17
IUPAC NameN-(2-methoxyethyl)-5-(methylaminomethyl)-N-pentan-3-yl-1,3-thiazol-2-amine
SMILESCCC(CC)N(CCOC)c1ncc(CNC)s1
InChIInChI=1S/C13H25N3OS/c1-5-11(6-2)16(7-8-17-4)13-15-10-12(18-13)9-14-3/h10-11,14H,5-9H2,1-4H3
InChIKeyFOKINDLXYKWCFN-UHFFFAOYSA-N
XLogP2.50
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62752566
N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-pentan-3-yl-1,3-thiazol-2-amine
CID 62752928
5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 82966301
N-(1-methoxypropan-2-yl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62752523
5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-methyl-1,3-thiazol-2-amine
CID 62753971
N-(2-ethoxyethyl)-N-ethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 63690743
N-(2-methoxyethyl)-4-(methylaminomethyl)-N-pentan-3-ylpyridin-2-amine
CID 62288159
N-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]-N-pentan-3-yl-1,3-thiazol-2-amine
CID 79489079
5-(methylaminomethyl)-N,N-bis(3-methylbutyl)-1,3-thiazol-2-amine
CID 107871472
N-(3-methoxypropyl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 63009419
N-butan-2-yl-5-[1-(ethylamino)ethyl]-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 55111975
5-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 62753260

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-(methylaminomethyl)-N-pentan-3-yl-1,3-thiazol-2-amine?
The IUPAC name of N-(2-methoxyethyl)-5-(methylaminomethyl)-N-pentan-3-yl-1,3-thiazol-2-amine (CID 55112407) is N-(2-methoxyethyl)-5-(methylaminomethyl)-N-pentan-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-5-(methylaminomethyl)-N-pentan-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-5-(methylaminomethyl)-N-pentan-3-yl-1,3-thiazol-2-amine is CCC(CC)N(CCOC)c1ncc(CNC)s1.
What is the InChIKey of N-(2-methoxyethyl)-5-(methylaminomethyl)-N-pentan-3-yl-1,3-thiazol-2-amine?
The InChIKey is FOKINDLXYKWCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3OS/c1-5-11(6-2)16(7-8-17-4)13-15-10-12(18-13)9-14-3/h10-11,14H,5-9H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-5-(methylaminomethyl)-N-pentan-3-yl-1,3-thiazol-2-amine?
N-(2-methoxyethyl)-5-(methylaminomethyl)-N-pentan-3-yl-1,3-thiazol-2-amine has a molecular weight of 271.43 g/mol, XLogP of 2.50, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-(methylaminomethyl)-N-pentan-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 55112407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).