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

C13H20N4S2 — CID 103700618

IUPACN,N-diethyl-5-[[(5-methyl-1,3-thiazol-2-yl)methylamino]methyl]-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CNCc2ncc(C)s2)s1
InChIInChI=1S/C13H20N4S2/c1-4-17(5-2)13-16-8-11(19-13)7-14-9-12-15-6-10(3)18-12/h6,8,14H,4-5,7,9H2,1-3H3
InChIKeyWZEPYUHFHIVJPX-UHFFFAOYSA-N
MW296.47 g/mol
LogP3.04
Rot. Bonds7

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

N,N-diethyl-5-[[(5-methyl-1,3-thiazol-2-yl)methylamino]methyl]-1,3-thiazol-2-amine (PubChem CID 103700618) has the molecular formula C13H20N4S2 and a molecular weight of 296.47 g/mol. Its IUPAC name is N,N-diethyl-5-[[(5-methyl-1,3-thiazol-2-yl)methylamino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-diethyl-5-[[(5-methyl-1,3-thiazol-2-yl)methylamino]methyl]-1,3-thiazol-2-amine
PubChem CID103700618
Molecular FormulaC13H20N4S2
Molecular Weight296.47 g/mol
Exact Mass296.11
IUPAC NameN,N-diethyl-5-[[(5-methyl-1,3-thiazol-2-yl)methylamino]methyl]-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CNCc2ncc(C)s2)s1
InChIInChI=1S/C13H20N4S2/c1-4-17(5-2)13-16-8-11(19-13)7-14-9-12-15-6-10(3)18-12/h6,8,14H,4-5,7,9H2,1-3H3
InChIKeyWZEPYUHFHIVJPX-UHFFFAOYSA-N
XLogP3.04
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.47
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 61282763
5-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 62047327
N,N-diethyl-5-[(furan-3-ylmethylamino)methyl]-1,3-thiazol-2-amine
CID 115595001
4-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]cyclohexan-1-ol
CID 106124874
N,N-diethyl-5-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]-1,3-thiazol-2-amine
CID 62197781
5-(aminomethyl)-N,N-diethyl-1,3-thiazol-2-amine
CID 18801628
N,N-diethyl-5-[[(1-methylcyclobutyl)methylamino]methyl]-1,3-thiazol-2-amine
CID 103735792
N-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43757506
N,N-diethyl-5-[(2-phenylethylamino)methyl]-1,3-thiazol-2-amine
CID 43761852
2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-N-ethylacetamide
CID 43777703
N,N-diethyl-5-[[(1-methylcyclopentyl)methylamino]methyl]-1,3-thiazol-2-amine
CID 55261395
N,N-diethyl-5-[[(6-methoxy-3-pyridinyl)methylamino]methyl]-1,3-thiazol-2-amine
CID 43770454

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[[(5-methyl-1,3-thiazol-2-yl)methylamino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of N,N-diethyl-5-[[(5-methyl-1,3-thiazol-2-yl)methylamino]methyl]-1,3-thiazol-2-amine (CID 103700618) is N,N-diethyl-5-[[(5-methyl-1,3-thiazol-2-yl)methylamino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-diethyl-5-[[(5-methyl-1,3-thiazol-2-yl)methylamino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N,N-diethyl-5-[[(5-methyl-1,3-thiazol-2-yl)methylamino]methyl]-1,3-thiazol-2-amine is CCN(CC)c1ncc(CNCc2ncc(C)s2)s1.
What is the InChIKey of N,N-diethyl-5-[[(5-methyl-1,3-thiazol-2-yl)methylamino]methyl]-1,3-thiazol-2-amine?
The InChIKey is WZEPYUHFHIVJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S2/c1-4-17(5-2)13-16-8-11(19-13)7-14-9-12-15-6-10(3)18-12/h6,8,14H,4-5,7,9H2,1-3H3.
What are the key properties of N,N-diethyl-5-[[(5-methyl-1,3-thiazol-2-yl)methylamino]methyl]-1,3-thiazol-2-amine?
N,N-diethyl-5-[[(5-methyl-1,3-thiazol-2-yl)methylamino]methyl]-1,3-thiazol-2-amine has a molecular weight of 296.47 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[[(5-methyl-1,3-thiazol-2-yl)methylamino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 103700618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).