N-[(3-ethylthiophen-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine

C13H20N2S2 — CID 115361787

IUPACN-[(3-ethylthiophen-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
SMILESCCc1ccsc1CNC1=NCC(C)(C)CS1
InChIInChI=1S/C13H20N2S2/c1-4-10-5-6-16-11(10)7-14-12-15-8-13(2,3)9-17-12/h5-6H,4,7-9H2,1-3H3,(H,14,15)
InChIKeyGJSXLICUQXEFGM-UHFFFAOYSA-N
MW268.45 g/mol
LogP3.53
Rot. Bonds3

About N-[(3-ethylthiophen-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine

N-[(3-ethylthiophen-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine (PubChem CID 115361787) has the molecular formula C13H20N2S2 and a molecular weight of 268.45 g/mol. Its IUPAC name is N-[(3-ethylthiophen-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-[(3-ethylthiophen-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
PubChem CID115361787
Molecular FormulaC13H20N2S2
Molecular Weight268.45 g/mol
Exact Mass268.11
IUPAC NameN-[(3-ethylthiophen-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
SMILESCCc1ccsc1CNC1=NCC(C)(C)CS1
InChIInChI=1S/C13H20N2S2/c1-4-10-5-6-16-11(10)7-14-12-15-8-13(2,3)9-17-12/h5-6H,4,7-9H2,1-3H3,(H,14,15)
InChIKeyGJSXLICUQXEFGM-UHFFFAOYSA-N
XLogP3.53
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylthiophen-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of N-[(3-ethylthiophen-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine (CID 115361787) is N-[(3-ethylthiophen-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for N-[(3-ethylthiophen-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for N-[(3-ethylthiophen-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine is CCc1ccsc1CNC1=NCC(C)(C)CS1.
What is the InChIKey of N-[(3-ethylthiophen-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is GJSXLICUQXEFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S2/c1-4-10-5-6-16-11(10)7-14-12-15-8-13(2,3)9-17-12/h5-6H,4,7-9H2,1-3H3,(H,14,15).
What are the key properties of N-[(3-ethylthiophen-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
N-[(3-ethylthiophen-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 268.45 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylthiophen-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 115361787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).