N,N-diethyl-5-[(1-pyridin-4-ylethylamino)methyl]-1,3-thiazol-2-amine

C15H22N4S — CID 43766835

IUPACN,N-diethyl-5-[(1-pyridin-4-ylethylamino)methyl]-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CNC(C)c2ccncc2)s1
InChIInChI=1S/C15H22N4S/c1-4-19(5-2)15-18-11-14(20-15)10-17-12(3)13-6-8-16-9-7-13/h6-9,11-12,17H,4-5,10H2,1-3H3
InChIKeyCSOJYJIRNCKVMM-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.24
Rot. Bonds7

About N,N-diethyl-5-[(1-pyridin-4-ylethylamino)methyl]-1,3-thiazol-2-amine

N,N-diethyl-5-[(1-pyridin-4-ylethylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 43766835) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is N,N-diethyl-5-[(1-pyridin-4-ylethylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-diethyl-5-[(1-pyridin-4-ylethylamino)methyl]-1,3-thiazol-2-amine
PubChem CID43766835
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC NameN,N-diethyl-5-[(1-pyridin-4-ylethylamino)methyl]-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CNC(C)c2ccncc2)s1
InChIInChI=1S/C15H22N4S/c1-4-19(5-2)15-18-11-14(20-15)10-17-12(3)13-6-8-16-9-7-13/h6-9,11-12,17H,4-5,10H2,1-3H3
InChIKeyCSOJYJIRNCKVMM-UHFFFAOYSA-N
XLogP3.24
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-pyridin-4-ylethanamine
CID 54883465
5-[[1-(1,3-benzodioxol-5-yl)ethylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 119114085
N,N-diethyl-5-[(5-methylhexan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 43767177
5-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 78961443
2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]propanoic acid
CID 54959823
(2R)-2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2-phenylethanol
CID 103766281
2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]butan-1-ol
CID 43771096
(1R)-N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 28644855
1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62758658
N,N-diethyl-5-[[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]methyl]-1,3-thiazol-2-amine
CID 93294400
N,N-diethyl-5-[(2-phenylpropylamino)methyl]-1,3-thiazol-2-amine
CID 43769127
3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]butanamide
CID 115870437

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[(1-pyridin-4-ylethylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N,N-diethyl-5-[(1-pyridin-4-ylethylamino)methyl]-1,3-thiazol-2-amine (CID 43766835) is N,N-diethyl-5-[(1-pyridin-4-ylethylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-diethyl-5-[(1-pyridin-4-ylethylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N,N-diethyl-5-[(1-pyridin-4-ylethylamino)methyl]-1,3-thiazol-2-amine is CCN(CC)c1ncc(CNC(C)c2ccncc2)s1.
What is the InChIKey of N,N-diethyl-5-[(1-pyridin-4-ylethylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is CSOJYJIRNCKVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-4-19(5-2)15-18-11-14(20-15)10-17-12(3)13-6-8-16-9-7-13/h6-9,11-12,17H,4-5,10H2,1-3H3.
What are the key properties of N,N-diethyl-5-[(1-pyridin-4-ylethylamino)methyl]-1,3-thiazol-2-amine?
N,N-diethyl-5-[(1-pyridin-4-ylethylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 290.44 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[(1-pyridin-4-ylethylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 43766835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).