5-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine

C13H25N3S — CID 62754150

IUPAC5-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine
SMILESCCNC(C)c1cnc(N(C)CCC(C)C)s1
InChIInChI=1S/C13H25N3S/c1-6-14-11(4)12-9-15-13(17-12)16(5)8-7-10(2)3/h9-11,14H,6-8H2,1-5H3
InChIKeyVHMAWHPDHILSBZ-UHFFFAOYSA-N
MW255.43 g/mol
LogP3.30
Rot. Bonds7

About 5-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine

5-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine (PubChem CID 62754150) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is 5-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine
PubChem CID62754150
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC Name5-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine
SMILESCCNC(C)c1cnc(N(C)CCC(C)C)s1
InChIInChI=1S/C13H25N3S/c1-6-14-11(4)12-9-15-13(17-12)16(5)8-7-10(2)3/h9-11,14H,6-8H2,1-5H3
InChIKeyVHMAWHPDHILSBZ-UHFFFAOYSA-N
XLogP3.30
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine (CID 62754150) is 5-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine is CCNC(C)c1cnc(N(C)CCC(C)C)s1.
What is the InChIKey of 5-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine?
The InChIKey is VHMAWHPDHILSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-6-14-11(4)12-9-15-13(17-12)16(5)8-7-10(2)3/h9-11,14H,6-8H2,1-5H3.
What are the key properties of 5-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine?
5-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine has a molecular weight of 255.43 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62754150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).