N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine

C13H21N3S2 — CID 113496013

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCC1CCSC(NC(C)c2sc(C)nc2C)=N1
InChIInChI=1S/C13H21N3S2/c1-5-11-6-7-17-13(16-11)15-9(3)12-8(2)14-10(4)18-12/h9,11H,5-7H2,1-4H3,(H,15,16)
InChIKeyUAFMBUXUQSZYHC-UHFFFAOYSA-N
MW283.47 g/mol
LogP3.68
Rot. Bonds3

About N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 113496013) has the molecular formula C13H21N3S2 and a molecular weight of 283.47 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID113496013
Molecular FormulaC13H21N3S2
Molecular Weight283.47 g/mol
Exact Mass283.12
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCC1CCSC(NC(C)c2sc(C)nc2C)=N1
InChIInChI=1S/C13H21N3S2/c1-5-11-6-7-17-13(16-11)15-9(3)12-8(2)14-10(4)18-12/h9,11H,5-7H2,1-4H3,(H,15,16)
InChIKeyUAFMBUXUQSZYHC-UHFFFAOYSA-N
XLogP3.68
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.47
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 113496013) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine is CCC1CCSC(NC(C)c2sc(C)nc2C)=N1.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is UAFMBUXUQSZYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S2/c1-5-11-6-7-17-13(16-11)15-9(3)12-8(2)14-10(4)18-12/h9,11H,5-7H2,1-4H3,(H,15,16).
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 283.47 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 113496013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).