N-butyl-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine

C11H21N3S — CID 62750234

IUPACN-butyl-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
SMILESCCCCN(C)c1ncc(C(C)NC)s1
InChIInChI=1S/C11H21N3S/c1-5-6-7-14(4)11-13-8-10(15-11)9(2)12-3/h8-9,12H,5-7H2,1-4H3
InChIKeyQLMHAQXIMBIIEC-UHFFFAOYSA-N
MW227.38 g/mol
LogP2.66
Rot. Bonds6

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

N-butyl-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine (PubChem CID 62750234) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is N-butyl-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-butyl-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
PubChem CID62750234
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC NameN-butyl-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
SMILESCCCCN(C)c1ncc(C(C)NC)s1
InChIInChI=1S/C11H21N3S/c1-5-6-7-14(4)11-13-8-10(15-11)9(2)12-3/h8-9,12H,5-7H2,1-4H3
InChIKeyQLMHAQXIMBIIEC-UHFFFAOYSA-N
XLogP2.66
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-aminoethyl)-N-butyl-N-methyl-1,3-thiazol-2-amine
CID 62750832
N-methyl-5-[1-(methylamino)ethyl]-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine
CID 81068221
1-[2-[methyl(pentyl)amino]-1,3-thiazol-5-yl]ethanol
CID 62754020
N-methyl-5-[1-(methylamino)ethyl]-N-pentan-3-yl-1,3-thiazol-2-amine
CID 62751974
N-cyclopropyl-5-[1-(methylamino)ethyl]-N-propyl-1,3-thiazol-2-amine
CID 62750433
5-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine
CID 62754150
N-[(4-chlorophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 62755005
N-butan-2-yl-N-butyl-5-[1-(ethylamino)ethyl]-1,3-thiazol-2-amine
CID 62752426
N-methyl-5-[1-(methylamino)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine
CID 63234787
N-methyl-N-(2-phenylethyl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 65486948
N-[(3-chlorophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 55112162
N-methyl-5-[1-(methylamino)ethyl]-N-(oxan-2-ylmethyl)-1,3-thiazol-2-amine
CID 62754771

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of N-butyl-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine (CID 62750234) is N-butyl-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-butyl-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-butyl-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine is CCCCN(C)c1ncc(C(C)NC)s1.
What is the InChIKey of N-butyl-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine?
The InChIKey is QLMHAQXIMBIIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-5-6-7-14(4)11-13-8-10(15-11)9(2)12-3/h8-9,12H,5-7H2,1-4H3.
What are the key properties of N-butyl-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine?
N-butyl-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine has a molecular weight of 227.38 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 62750234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).