N-[(4-ethoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

C18H26N2O2S — CID 17338501

IUPACN-[(4-ethoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCOc1ccc(CN(CC2CCCO2)C2=NCCCS2)cc1
InChIInChI=1S/C18H26N2O2S/c1-2-21-16-8-6-15(7-9-16)13-20(14-17-5-3-11-22-17)18-19-10-4-12-23-18/h6-9,17H,2-5,10-14H2,1H3
InChIKeyDTDCEOOYCRYULC-UHFFFAOYSA-N
MW334.49 g/mol
LogP3.56
Rot. Bonds6

About N-[(4-ethoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

N-[(4-ethoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 17338501) has the molecular formula C18H26N2O2S and a molecular weight of 334.49 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID17338501
Molecular FormulaC18H26N2O2S
Molecular Weight334.49 g/mol
Exact Mass334.17
IUPAC NameN-[(4-ethoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCOc1ccc(CN(CC2CCCO2)C2=NCCCS2)cc1
InChIInChI=1S/C18H26N2O2S/c1-2-21-16-8-6-15(7-9-16)13-20(14-17-5-3-11-22-17)18-19-10-4-12-23-18/h6-9,17H,2-5,10-14H2,1H3
InChIKeyDTDCEOOYCRYULC-UHFFFAOYSA-N
XLogP3.56
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 17338382
N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 17338392
N-(cyclohex-3-en-1-ylmethyl)-N-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 17338517
4-N-[(4-ethoxyphenyl)methyl]-1-N,1-N-diethyl-4-N-(oxolan-2-ylmethyl)benzene-1,4-disulfonamide
CID 3189852
N-[(4-methoxyphenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 17338573
3-(4-ethoxyphenyl)-1-[[(2S)-oxolan-2-yl]methyl]-1-(thiophen-3-ylmethyl)urea
CID 97456365
1-(4-ethoxyphenyl)-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61431322
N-[(4-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 17338576
2-[(4-ethoxyphenyl)methyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 78793510
N-[(4-ethoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 1176687
4-(azepan-1-ylsulfonyl)-N-[(4-ethoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 98100751
1-[(4-ethoxyphenyl)methyl]-3-ethyl-1-methyl-2-(oxolan-2-ylmethyl)guanidine
CID 111275509

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 17338501) is N-[(4-ethoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is CCOc1ccc(CN(CC2CCCO2)C2=NCCCS2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is DTDCEOOYCRYULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2S/c1-2-21-16-8-6-15(7-9-16)13-20(14-17-5-3-11-22-17)18-19-10-4-12-23-18/h6-9,17H,2-5,10-14H2,1H3.
What are the key properties of N-[(4-ethoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-[(4-ethoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 334.49 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 17338501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).