4-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutan-2-yl)-1,3-thiazol-2-amine

C13H25N3S — CID 64542925

IUPAC4-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutan-2-yl)-1,3-thiazol-2-amine
SMILESCCNC(C)c1csc(N(C)C(C)C(C)C)n1
InChIInChI=1S/C13H25N3S/c1-7-14-10(4)12-8-17-13(15-12)16(6)11(5)9(2)3/h8-11,14H,7H2,1-6H3
InChIKeyNLCCEYVQVYGELJ-UHFFFAOYSA-N
MW255.43 g/mol
LogP3.29
Rot. Bonds6

About 4-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutan-2-yl)-1,3-thiazol-2-amine

4-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutan-2-yl)-1,3-thiazol-2-amine (PubChem CID 64542925) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is 4-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutan-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutan-2-yl)-1,3-thiazol-2-amine
PubChem CID64542925
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC Name4-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutan-2-yl)-1,3-thiazol-2-amine
SMILESCCNC(C)c1csc(N(C)C(C)C(C)C)n1
InChIInChI=1S/C13H25N3S/c1-7-14-10(4)12-8-17-13(15-12)16(6)11(5)9(2)3/h8-11,14H,7H2,1-6H3
InChIKeyNLCCEYVQVYGELJ-UHFFFAOYSA-N
XLogP3.29
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 53.29
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-methyl-N-(3-methylbutan-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutan-2-yl)-1,3-thiazol-2-amine (CID 64542925) is 4-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutan-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutan-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutan-2-yl)-1,3-thiazol-2-amine is CCNC(C)c1csc(N(C)C(C)C(C)C)n1.
What is the InChIKey of 4-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutan-2-yl)-1,3-thiazol-2-amine?
The InChIKey is NLCCEYVQVYGELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-7-14-10(4)12-8-17-13(15-12)16(6)11(5)9(2)3/h8-11,14H,7H2,1-6H3.
What are the key properties of 4-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutan-2-yl)-1,3-thiazol-2-amine?
4-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutan-2-yl)-1,3-thiazol-2-amine has a molecular weight of 255.43 g/mol, XLogP of 3.29, 6 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-methyl-N-(3-methylbutan-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 64542925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).