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

C14H22N2S2 — CID 114177187

IUPACN-[1-(5-methylthiophen-2-yl)ethyl]-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCc1ccc(C(C)NC2=NC(C(C)C)CCS2)s1
InChIInChI=1S/C14H22N2S2/c1-9(2)12-7-8-17-14(16-12)15-11(4)13-6-5-10(3)18-13/h5-6,9,11-12H,7-8H2,1-4H3,(H,15,16)
InChIKeyMMQMCXJIKUXFRP-UHFFFAOYSA-N
MW282.48 g/mol
LogP4.22
Rot. Bonds3

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

N-[1-(5-methylthiophen-2-yl)ethyl]-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 114177187) has the molecular formula C14H22N2S2 and a molecular weight of 282.48 g/mol. Its IUPAC name is N-[1-(5-methylthiophen-2-yl)ethyl]-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-[1-(5-methylthiophen-2-yl)ethyl]-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID114177187
Molecular FormulaC14H22N2S2
Molecular Weight282.48 g/mol
Exact Mass282.12
IUPAC NameN-[1-(5-methylthiophen-2-yl)ethyl]-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCc1ccc(C(C)NC2=NC(C(C)C)CCS2)s1
InChIInChI=1S/C14H22N2S2/c1-9(2)12-7-8-17-14(16-12)15-11(4)13-6-5-10(3)18-13/h5-6,9,11-12H,7-8H2,1-4H3,(H,15,16)
InChIKeyMMQMCXJIKUXFRP-UHFFFAOYSA-N
XLogP4.22
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.48
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

(4S)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79246281
N-(2-cyclopentyloxyethyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 63824599
1-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]imidazol-2-amine
CID 62133640
N-(4-methylpiperazin-1-yl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106352080
(1R)-1-cyclohexyl-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
CID 81384118
4-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43194697
2,6-difluoro-3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 82818453
2-cyclopropyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 115713828
trans-(1S,2S)-2-[1-(5-methylthiophen-2-yl)ethylamino]cyclopentan-1-ol
CID 102733244
3-[1-(5-methylthiophen-2-yl)ethylamino]pyrazine-2-carbonitrile
CID 62673071
6-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine
CID 166367494
6-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine;hydroiodide
CID 166367493

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylthiophen-2-yl)ethyl]-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-[1-(5-methylthiophen-2-yl)ethyl]-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 114177187) is N-[1-(5-methylthiophen-2-yl)ethyl]-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-[1-(5-methylthiophen-2-yl)ethyl]-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-[1-(5-methylthiophen-2-yl)ethyl]-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine is Cc1ccc(C(C)NC2=NC(C(C)C)CCS2)s1.
What is the InChIKey of N-[1-(5-methylthiophen-2-yl)ethyl]-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is MMQMCXJIKUXFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S2/c1-9(2)12-7-8-17-14(16-12)15-11(4)13-6-5-10(3)18-13/h5-6,9,11-12H,7-8H2,1-4H3,(H,15,16).
What are the key properties of N-[1-(5-methylthiophen-2-yl)ethyl]-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-[1-(5-methylthiophen-2-yl)ethyl]-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 282.48 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylthiophen-2-yl)ethyl]-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 114177187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).