5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-yl-1,3-thiazol-2-amine

C12H23N3OS — CID 82966301

IUPAC5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCCNCc1cnc(N(CCOC)C(C)C)s1
InChIInChI=1S/C12H23N3OS/c1-5-13-8-11-9-14-12(17-11)15(10(2)3)6-7-16-4/h9-10,13H,5-8H2,1-4H3
InChIKeyYFOISCKUKZAQIJ-UHFFFAOYSA-N
MW257.40 g/mol
LogP2.11
Rot. Bonds8

About 5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-yl-1,3-thiazol-2-amine

5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 82966301) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-yl-1,3-thiazol-2-amine
PubChem CID82966301
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC Name5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCCNCc1cnc(N(CCOC)C(C)C)s1
InChIInChI=1S/C12H23N3OS/c1-5-13-8-11-9-14-12(17-11)15(10(2)3)6-7-16-4/h9-10,13H,5-8H2,1-4H3
InChIKeyYFOISCKUKZAQIJ-UHFFFAOYSA-N
XLogP2.11
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-pentan-3-yl-1,3-thiazol-2-amine
CID 62752928
N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62752566
N-(2-methoxyethyl)-5-(methylaminomethyl)-N-pentan-3-yl-1,3-thiazol-2-amine
CID 55112407
N-ethyl-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 55112531
N-pentyl-N-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62754981
N-(2-methylpropyl)-N-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62752743
N-ethyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine
CID 62749898
5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 62750089
N,N-dibutyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
CID 62750412
5-bromo-3-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
CID 82952628
N-ethyl-5-(ethylaminomethyl)-N-(2-methylbutyl)-1,3-thiazol-2-amine
CID 79482761
3-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
CID 82952630

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-yl-1,3-thiazol-2-amine (CID 82966301) is 5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-yl-1,3-thiazol-2-amine is CCNCc1cnc(N(CCOC)C(C)C)s1.
What is the InChIKey of 5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is YFOISCKUKZAQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-5-13-8-11-9-14-12(17-11)15(10(2)3)6-7-16-4/h9-10,13H,5-8H2,1-4H3.
What are the key properties of 5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-yl-1,3-thiazol-2-amine?
5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 257.40 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 82966301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).