N,N-diethyl-5-[[(6-methoxy-3-pyridinyl)methylamino]methyl]-1,3-thiazol-2-amine

C15H22N4OS — CID 43770454

IUPACN,N-diethyl-5-[[(6-methoxy-3-pyridinyl)methylamino]methyl]-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CNCc2ccc(OC)nc2)s1
InChIInChI=1S/C15H22N4OS/c1-4-19(5-2)15-18-11-13(21-15)10-16-8-12-6-7-14(20-3)17-9-12/h6-7,9,11,16H,4-5,8,10H2,1-3H3
InChIKeyGSAUNPZXKNWHDJ-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.68
Rot. Bonds8

About N,N-diethyl-5-[[(6-methoxy-3-pyridinyl)methylamino]methyl]-1,3-thiazol-2-amine

N,N-diethyl-5-[[(6-methoxy-3-pyridinyl)methylamino]methyl]-1,3-thiazol-2-amine (PubChem CID 43770454) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is N,N-diethyl-5-[[(6-methoxy-3-pyridinyl)methylamino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-diethyl-5-[[(6-methoxy-3-pyridinyl)methylamino]methyl]-1,3-thiazol-2-amine
PubChem CID43770454
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC NameN,N-diethyl-5-[[(6-methoxy-3-pyridinyl)methylamino]methyl]-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CNCc2ccc(OC)nc2)s1
InChIInChI=1S/C15H22N4OS/c1-4-19(5-2)15-18-11-13(21-15)10-16-8-12-6-7-14(20-3)17-9-12/h6-7,9,11,16H,4-5,8,10H2,1-3H3
InChIKeyGSAUNPZXKNWHDJ-UHFFFAOYSA-N
XLogP2.68
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-5-[(furan-3-ylmethylamino)methyl]-1,3-thiazol-2-amine
CID 115595001
N,N-diethyl-5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 61282763
N-[(5-chlorothiophen-2-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
CID 28712760
5-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 62047327
N,N-diethyl-5-[[(5-methyl-1,3-thiazol-2-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 103700618
N,N-diethyl-5-[(2-phenylethylamino)methyl]-1,3-thiazol-2-amine
CID 43761852
N-[(2-ethylphenyl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
CID 62390689
1-N-[(6-methoxy-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 114936683
N-[(2,5-dimethylthiophen-3-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
CID 54977668
N-[(6-methoxy-3-pyridinyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 28712185
N,N-diethyl-5-[[(1-methylcyclobutyl)methylamino]methyl]-1,3-thiazol-2-amine
CID 103735792
N-[(5-bromofuran-2-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
CID 28712167

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[[(6-methoxy-3-pyridinyl)methylamino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of N,N-diethyl-5-[[(6-methoxy-3-pyridinyl)methylamino]methyl]-1,3-thiazol-2-amine (CID 43770454) is N,N-diethyl-5-[[(6-methoxy-3-pyridinyl)methylamino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-diethyl-5-[[(6-methoxy-3-pyridinyl)methylamino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N,N-diethyl-5-[[(6-methoxy-3-pyridinyl)methylamino]methyl]-1,3-thiazol-2-amine is CCN(CC)c1ncc(CNCc2ccc(OC)nc2)s1.
What is the InChIKey of N,N-diethyl-5-[[(6-methoxy-3-pyridinyl)methylamino]methyl]-1,3-thiazol-2-amine?
The InChIKey is GSAUNPZXKNWHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-4-19(5-2)15-18-11-13(21-15)10-16-8-12-6-7-14(20-3)17-9-12/h6-7,9,11,16H,4-5,8,10H2,1-3H3.
What are the key properties of N,N-diethyl-5-[[(6-methoxy-3-pyridinyl)methylamino]methyl]-1,3-thiazol-2-amine?
N,N-diethyl-5-[[(6-methoxy-3-pyridinyl)methylamino]methyl]-1,3-thiazol-2-amine has a molecular weight of 306.44 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[[(6-methoxy-3-pyridinyl)methylamino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 43770454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).