N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pentan-3-amine

C12H22N2S — CID 61193894

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pentan-3-amine
SMILESCCC(CC)NC(C)c1sc(C)nc1C
InChIInChI=1S/C12H22N2S/c1-6-11(7-2)14-9(4)12-8(3)13-10(5)15-12/h9,11,14H,6-7H2,1-5H3
InChIKeyBIUNVUYYIMAVRQ-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.60
Rot. Bonds5

About N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pentan-3-amine

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pentan-3-amine (PubChem CID 61193894) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pentan-3-amine.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pentan-3-amine
PubChem CID61193894
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pentan-3-amine
SMILESCCC(CC)NC(C)c1sc(C)nc1C
InChIInChI=1S/C12H22N2S/c1-6-11(7-2)14-9(4)12-8(3)13-10(5)15-12/h9,11,14H,6-7H2,1-5H3
InChIKeyBIUNVUYYIMAVRQ-UHFFFAOYSA-N
XLogP3.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentanenitrile
CID 61192885
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 63752942
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(4-methylphenyl)propan-1-amine
CID 61192274
2-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 63751598
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylsulfanylbutan-2-amine
CID 115721995
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(4-ethylphenyl)propan-1-amine
CID 61193902
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentan-3-ol
CID 115729166
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-ethylpentan-2-ol
CID 113261392
N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]butan-2-amine
CID 115705663
2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentanoic acid
CID 65054987
1-(3,5-dimethylphenyl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 81326914
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]decan-1-amine
CID 63492567

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pentan-3-amine?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pentan-3-amine (CID 61193894) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pentan-3-amine.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pentan-3-amine?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pentan-3-amine is CCC(CC)NC(C)c1sc(C)nc1C.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pentan-3-amine?
The InChIKey is BIUNVUYYIMAVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-6-11(7-2)14-9(4)12-8(3)13-10(5)15-12/h9,11,14H,6-7H2,1-5H3.
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pentan-3-amine?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pentan-3-amine has a molecular weight of 226.39 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pentan-3-amine is sourced from PubChem (CID 61193894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).