1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-ethyl-N-propylbutan-1-amine

C14H26N2S — CID 114033793

IUPAC1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-ethyl-N-propylbutan-1-amine
SMILESCCCNC(c1sc(C)nc1C)C(CC)CC
InChIInChI=1S/C14H26N2S/c1-6-9-15-13(12(7-2)8-3)14-10(4)16-11(5)17-14/h12-13,15H,6-9H2,1-5H3
InChIKeyFJWJGFSQIQANFI-UHFFFAOYSA-N
MW254.44 g/mol
LogP4.24
Rot. Bonds7

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

1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-ethyl-N-propylbutan-1-amine (PubChem CID 114033793) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is 1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-ethyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-ethyl-N-propylbutan-1-amine
PubChem CID114033793
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC Name1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-ethyl-N-propylbutan-1-amine
SMILESCCCNC(c1sc(C)nc1C)C(CC)CC
InChIInChI=1S/C14H26N2S/c1-6-9-15-13(12(7-2)8-3)14-10(4)16-11(5)17-14/h12-13,15H,6-9H2,1-5H3
InChIKeyFJWJGFSQIQANFI-UHFFFAOYSA-N
XLogP4.24
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dimethyl-1,3-thiazol-5-yl)-3-(propylamino)propan-1-ol
CID 64813657
1-(3,5-dimethylthiophen-2-yl)-2-ethyl-N-propylbutan-1-amine
CID 81157389
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]decan-1-amine
CID 63492567
1-(2,4-dimethyl-1,3-thiazol-5-yl)propan-1-ol
CID 82630324
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentan-3-ol
CID 115729166
N-[(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114033825
1-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-N-ethylbutane-1,3-diamine
CID 55121164
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pentan-3-amine
CID 61193894
2-(2,4-dimethyl-1,3-thiazol-5-yl)butan-1-amine
CID 116887192
4-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 61295837
2-(2,4-dimethyl-1,3-thiazol-5-yl)butanenitrile
CID 116887293
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N',N'-diethylpropane-1,3-diamine
CID 55241750

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-ethyl-N-propylbutan-1-amine?
The IUPAC name of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-ethyl-N-propylbutan-1-amine (CID 114033793) is 1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-ethyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-ethyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-ethyl-N-propylbutan-1-amine is CCCNC(c1sc(C)nc1C)C(CC)CC.
What is the InChIKey of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-ethyl-N-propylbutan-1-amine?
The InChIKey is FJWJGFSQIQANFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-6-9-15-13(12(7-2)8-3)14-10(4)16-11(5)17-14/h12-13,15H,6-9H2,1-5H3.
What are the key properties of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-ethyl-N-propylbutan-1-amine?
1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-ethyl-N-propylbutan-1-amine has a molecular weight of 254.44 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-ethyl-N-propylbutan-1-amine is sourced from PubChem (CID 114033793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).