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

C13H21N3OS — CID 113496108

IUPACN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCC1CCSC(NC(C)c2c(C)noc2C)=N1
InChIInChI=1S/C13H21N3OS/c1-5-11-6-7-18-13(15-11)14-8(2)12-9(3)16-17-10(12)4/h8,11H,5-7H2,1-4H3,(H,14,15)
InChIKeyOOXAZKOGNIADKY-UHFFFAOYSA-N
MW267.40 g/mol
LogP3.21
Rot. Bonds3

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

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 113496108) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID113496108
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCC1CCSC(NC(C)c2c(C)noc2C)=N1
InChIInChI=1S/C13H21N3OS/c1-5-11-6-7-18-13(15-11)14-8(2)12-9(3)16-17-10(12)4/h8,11H,5-7H2,1-4H3,(H,14,15)
InChIKeyOOXAZKOGNIADKY-UHFFFAOYSA-N
XLogP3.21
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115361760
N-(dicyclopropylmethyl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
CID 79237238
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 79236450
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]cyclopentanamine
CID 79237126
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidin-2-amine
CID 78961774
5-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 79002925
5-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]pyrrolidin-2-one
CID 113428831
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 106659817
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methyl-1,3-thiazol-2-amine
CID 79242353
4-ethyl-N-(thiolan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 103063789
N-(2,3-dimethylphenyl)-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 113495956
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 79242000

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 113496108) is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine is CCC1CCSC(NC(C)c2c(C)noc2C)=N1.
What is the InChIKey of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is OOXAZKOGNIADKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-5-11-6-7-18-13(15-11)14-8(2)12-9(3)16-17-10(12)4/h8,11H,5-7H2,1-4H3,(H,14,15).
What are the key properties of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 267.40 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 113496108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).