N-butyl-4-ethyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine

C15H29N3S — CID 62766184

IUPACN-butyl-4-ethyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
SMILESCCCCN(C)c1nc(CC)c(CNCC(C)C)s1
InChIInChI=1S/C15H29N3S/c1-6-8-9-18(5)15-17-13(7-2)14(19-15)11-16-10-12(3)4/h12,16H,6-11H2,1-5H3
InChIKeyWZWSFZPHYJBETJ-UHFFFAOYSA-N
MW283.48 g/mol
LogP3.69
Rot. Bonds9

About N-butyl-4-ethyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine

N-butyl-4-ethyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 62766184) has the molecular formula C15H29N3S and a molecular weight of 283.48 g/mol. Its IUPAC name is N-butyl-4-ethyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-butyl-4-ethyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
PubChem CID62766184
Molecular FormulaC15H29N3S
Molecular Weight283.48 g/mol
Exact Mass283.21
IUPAC NameN-butyl-4-ethyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
SMILESCCCCN(C)c1nc(CC)c(CNCC(C)C)s1
InChIInChI=1S/C15H29N3S/c1-6-8-9-18(5)15-17-13(7-2)14(19-15)11-16-10-12(3)4/h12,16H,6-11H2,1-5H3
InChIKeyWZWSFZPHYJBETJ-UHFFFAOYSA-N
XLogP3.69
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.48
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[4-ethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63725858
N-butyl-N-methyl-5-[(2-methylpropylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 79395047
4-ethyl-N-methyl-5-[(2-methylpropylamino)methyl]-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine
CID 81064695
N-(3-methoxypropyl)-N-methyl-5-[(2-methylpropylamino)methyl]-4-propyl-1,3-thiazol-2-amine
CID 63009443
N-(cyclopentylmethyl)-4-ethyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 63655931
N'-[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63726893
N'-[4-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63727761
N'-[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 63725686
N-methyl-5-[(2-methylpropylamino)methyl]-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62767142
4-ethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine
CID 62767763
N-methyl-5-[(2-methylpropylamino)methyl]-N-(2-methylsulfanylethyl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 115987930
N-methyl-5-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylpropan-2-yl)-4-propyl-1,3-thiazol-2-amine
CID 115987996

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-ethyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-butyl-4-ethyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine (CID 62766184) is N-butyl-4-ethyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-butyl-4-ethyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-butyl-4-ethyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine is CCCCN(C)c1nc(CC)c(CNCC(C)C)s1.
What is the InChIKey of N-butyl-4-ethyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is WZWSFZPHYJBETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3S/c1-6-8-9-18(5)15-17-13(7-2)14(19-15)11-16-10-12(3)4/h12,16H,6-11H2,1-5H3.
What are the key properties of N-butyl-4-ethyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine?
N-butyl-4-ethyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 283.48 g/mol, XLogP of 3.69, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-ethyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 62766184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).