4-[1-(ethylamino)ethyl]-N,N-bis(3-methylbutyl)-1,3-thiazol-2-amine

C17H33N3S — CID 107871475

IUPAC4-[1-(ethylamino)ethyl]-N,N-bis(3-methylbutyl)-1,3-thiazol-2-amine
SMILESCCNC(C)c1csc(N(CCC(C)C)CCC(C)C)n1
InChIInChI=1S/C17H33N3S/c1-7-18-15(6)16-12-21-17(19-16)20(10-8-13(2)3)11-9-14(4)5/h12-15,18H,7-11H2,1-6H3
InChIKeyLFNYXGBWMUITSN-UHFFFAOYSA-N
MW311.54 g/mol
LogP4.71
Rot. Bonds10

About 4-[1-(ethylamino)ethyl]-N,N-bis(3-methylbutyl)-1,3-thiazol-2-amine

4-[1-(ethylamino)ethyl]-N,N-bis(3-methylbutyl)-1,3-thiazol-2-amine (PubChem CID 107871475) has the molecular formula C17H33N3S and a molecular weight of 311.54 g/mol. Its IUPAC name is 4-[1-(ethylamino)ethyl]-N,N-bis(3-methylbutyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[1-(ethylamino)ethyl]-N,N-bis(3-methylbutyl)-1,3-thiazol-2-amine
PubChem CID107871475
Molecular FormulaC17H33N3S
Molecular Weight311.54 g/mol
Exact Mass311.24
IUPAC Name4-[1-(ethylamino)ethyl]-N,N-bis(3-methylbutyl)-1,3-thiazol-2-amine
SMILESCCNC(C)c1csc(N(CCC(C)C)CCC(C)C)n1
InChIInChI=1S/C17H33N3S/c1-7-18-15(6)16-12-21-17(19-16)20(10-8-13(2)3)11-9-14(4)5/h12-15,18H,7-11H2,1-6H3
InChIKeyLFNYXGBWMUITSN-UHFFFAOYSA-N
XLogP4.71
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.54
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(ethylamino)ethyl]-N,N-bis(3-methylbutyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[1-(ethylamino)ethyl]-N,N-bis(3-methylbutyl)-1,3-thiazol-2-amine (CID 107871475) is 4-[1-(ethylamino)ethyl]-N,N-bis(3-methylbutyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[1-(ethylamino)ethyl]-N,N-bis(3-methylbutyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[1-(ethylamino)ethyl]-N,N-bis(3-methylbutyl)-1,3-thiazol-2-amine is CCNC(C)c1csc(N(CCC(C)C)CCC(C)C)n1.
What is the InChIKey of 4-[1-(ethylamino)ethyl]-N,N-bis(3-methylbutyl)-1,3-thiazol-2-amine?
The InChIKey is LFNYXGBWMUITSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3S/c1-7-18-15(6)16-12-21-17(19-16)20(10-8-13(2)3)11-9-14(4)5/h12-15,18H,7-11H2,1-6H3.
What are the key properties of 4-[1-(ethylamino)ethyl]-N,N-bis(3-methylbutyl)-1,3-thiazol-2-amine?
4-[1-(ethylamino)ethyl]-N,N-bis(3-methylbutyl)-1,3-thiazol-2-amine has a molecular weight of 311.54 g/mol, XLogP of 4.71, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(ethylamino)ethyl]-N,N-bis(3-methylbutyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 107871475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).