2,3,3-trimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine

C13H24N2S — CID 81338939

IUPAC2,3,3-trimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine
SMILESCc1ncsc1C(C)NCC(C)C(C)(C)C
InChIInChI=1S/C13H24N2S/c1-9(13(4,5)6)7-14-10(2)12-11(3)15-8-16-12/h8-10,14H,7H2,1-6H3
InChIKeyRAPUKMIFICAKJU-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.78
Rot. Bonds4

About 2,3,3-trimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine

2,3,3-trimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine (PubChem CID 81338939) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 2,3,3-trimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine.

Molecular Properties

Compound Name2,3,3-trimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine
PubChem CID81338939
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name2,3,3-trimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine
SMILESCc1ncsc1C(C)NCC(C)C(C)(C)C
InChIInChI=1S/C13H24N2S/c1-9(13(4,5)6)7-14-10(2)12-11(3)15-8-16-12/h8-10,14H,7H2,1-6H3
InChIKeyRAPUKMIFICAKJU-UHFFFAOYSA-N
XLogP3.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol
CID 104579913
2-methyl-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanenitrile
CID 62647813
3,3-dimethyl-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol
CID 115725802
2-methyl-2-methylsulfonyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 79558911
2-methyl-2-[[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]butan-1-ol
CID 115895184
N'-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 62634392
tert-butyl N-methyl-N-[2-methyl-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propyl]carbamate
CID 103783110
6-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]hexan-1-ol
CID 115906803
N-(cyclopentylmethyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 43775593
N-(2-ethylsulfinylethyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 115718811
1-(4-methyl-1,3-thiazol-5-yl)-N-(thian-4-ylmethyl)ethanamine
CID 115719853
1-(4-methyl-1,3-thiazol-5-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine
CID 63831687

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine?
The IUPAC name of 2,3,3-trimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine (CID 81338939) is 2,3,3-trimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine.
What is the SMILES notation for 2,3,3-trimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine?
The canonical SMILES for 2,3,3-trimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine is Cc1ncsc1C(C)NCC(C)C(C)(C)C.
What is the InChIKey of 2,3,3-trimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine?
The InChIKey is RAPUKMIFICAKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-9(13(4,5)6)7-14-10(2)12-11(3)15-8-16-12/h8-10,14H,7H2,1-6H3.
What are the key properties of 2,3,3-trimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine?
2,3,3-trimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine has a molecular weight of 240.42 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine is sourced from PubChem (CID 81338939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).