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

C14H25N3S — CID 103735792

IUPACN,N-diethyl-5-[[(1-methylcyclobutyl)methylamino]methyl]-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CNCC2(C)CCC2)s1
InChIInChI=1S/C14H25N3S/c1-4-17(5-2)13-16-10-12(18-13)9-15-11-14(3)7-6-8-14/h10,15H,4-9,11H2,1-3H3
InChIKeyNYSWFLCHWOTBRT-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.27
Rot. Bonds7

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

N,N-diethyl-5-[[(1-methylcyclobutyl)methylamino]methyl]-1,3-thiazol-2-amine (PubChem CID 103735792) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N,N-diethyl-5-[[(1-methylcyclobutyl)methylamino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-diethyl-5-[[(1-methylcyclobutyl)methylamino]methyl]-1,3-thiazol-2-amine
PubChem CID103735792
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN,N-diethyl-5-[[(1-methylcyclobutyl)methylamino]methyl]-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CNCC2(C)CCC2)s1
InChIInChI=1S/C14H25N3S/c1-4-17(5-2)13-16-10-12(18-13)9-15-11-14(3)7-6-8-14/h10,15H,4-9,11H2,1-3H3
InChIKeyNYSWFLCHWOTBRT-UHFFFAOYSA-N
XLogP3.27
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-5-[[(1-methylcyclopentyl)methylamino]methyl]-1,3-thiazol-2-amine
CID 55261395
5-[[(1,4-dimethylpiperidin-4-yl)methylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 103992131
1-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]-3-methylcyclohexan-1-ol
CID 63931859
1-(2-ethyl-1,3-thiazol-5-yl)-N-[(1-methylcyclohexyl)methyl]methanamine
CID 113255341
N,N-diethyl-5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 61282763
5-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 120780538
5-[[(2,2-dimethylcyclohexyl)amino]methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 79861333
N,N-diethyl-5-[[(5-methyl-1,3-thiazol-2-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 103700618
5-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 62047327
4-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]cyclohexan-1-ol
CID 106124874
5-(aminomethyl)-N,N-diethyl-1,3-thiazol-2-amine
CID 18801628
N-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43757506

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[[(1-methylcyclobutyl)methylamino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of N,N-diethyl-5-[[(1-methylcyclobutyl)methylamino]methyl]-1,3-thiazol-2-amine (CID 103735792) is N,N-diethyl-5-[[(1-methylcyclobutyl)methylamino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-diethyl-5-[[(1-methylcyclobutyl)methylamino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N,N-diethyl-5-[[(1-methylcyclobutyl)methylamino]methyl]-1,3-thiazol-2-amine is CCN(CC)c1ncc(CNCC2(C)CCC2)s1.
What is the InChIKey of N,N-diethyl-5-[[(1-methylcyclobutyl)methylamino]methyl]-1,3-thiazol-2-amine?
The InChIKey is NYSWFLCHWOTBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-4-17(5-2)13-16-10-12(18-13)9-15-11-14(3)7-6-8-14/h10,15H,4-9,11H2,1-3H3.
What are the key properties of N,N-diethyl-5-[[(1-methylcyclobutyl)methylamino]methyl]-1,3-thiazol-2-amine?
N,N-diethyl-5-[[(1-methylcyclobutyl)methylamino]methyl]-1,3-thiazol-2-amine has a molecular weight of 267.44 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[[(1-methylcyclobutyl)methylamino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 103735792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).