N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-pyridin-2-ylethanamine

C15H22N4S — CID 62419199

IUPACN-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-pyridin-2-ylethanamine
SMILESCCNCc1nc(CN(C)CCc2ccccn2)cs1
InChIInChI=1S/C15H22N4S/c1-3-16-10-15-18-14(12-20-15)11-19(2)9-7-13-6-4-5-8-17-13/h4-6,8,12,16H,3,7,9-11H2,1-2H3
InChIKeyFRDKNXRKXUWXPY-UHFFFAOYSA-N
MW290.44 g/mol
LogP2.32
Rot. Bonds8

About N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-pyridin-2-ylethanamine

N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-pyridin-2-ylethanamine (PubChem CID 62419199) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-pyridin-2-ylethanamine
PubChem CID62419199
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC NameN-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-pyridin-2-ylethanamine
SMILESCCNCc1nc(CN(C)CCc2ccccn2)cs1
InChIInChI=1S/C15H22N4S/c1-3-16-10-15-18-14(12-20-15)11-19(2)9-7-13-6-4-5-8-17-13/h4-6,8,12,16H,3,7,9-11H2,1-2H3
InChIKeyFRDKNXRKXUWXPY-UHFFFAOYSA-N
XLogP2.32
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-phenylethanamine
CID 65488457
N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-pyridin-2-ylethanamine
CID 171130428
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946
N-[[4-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62412254
N-[[4-[[cyclopropylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62426744
N-[[4-[[(3-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62462709
2-[2-[(pyridin-2-ylmethylamino)methyl]-1,3-thiazol-4-yl]acetic acid
CID 94275057
N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62462365
N-[[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62413591
3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]thiophene-2-carbohydrazide
CID 63640379
N-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]pentan-1-amine
CID 62422802
N-ethyl-N',2-dimethyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 62418035

Frequently Asked Questions

What is the IUPAC name of N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-pyridin-2-ylethanamine?
The IUPAC name of N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-pyridin-2-ylethanamine (CID 62419199) is N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-pyridin-2-ylethanamine.
What is the SMILES notation for N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-pyridin-2-ylethanamine?
The canonical SMILES for N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-pyridin-2-ylethanamine is CCNCc1nc(CN(C)CCc2ccccn2)cs1.
What is the InChIKey of N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-pyridin-2-ylethanamine?
The InChIKey is FRDKNXRKXUWXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-3-16-10-15-18-14(12-20-15)11-19(2)9-7-13-6-4-5-8-17-13/h4-6,8,12,16H,3,7,9-11H2,1-2H3.
What are the key properties of N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-pyridin-2-ylethanamine?
N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-pyridin-2-ylethanamine has a molecular weight of 290.44 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-pyridin-2-ylethanamine is sourced from PubChem (CID 62419199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).