N-[(4-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

C18H27N3O2S — CID 17338576

IUPACN-[(4-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCOc1ccc(CN(CCN2CCOCC2)C2=NCCCS2)cc1
InChIInChI=1S/C18H27N3O2S/c1-22-17-5-3-16(4-6-17)15-21(18-19-7-2-14-24-18)9-8-20-10-12-23-13-11-20/h3-6H,2,7-15H2,1H3
InChIKeyCLTIOARMLBYSID-UHFFFAOYSA-N
MW349.50 g/mol
LogP2.32
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

N-[(4-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 17338576) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID17338576
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCOc1ccc(CN(CCN2CCOCC2)C2=NCCCS2)cc1
InChIInChI=1S/C18H27N3O2S/c1-22-17-5-3-16(4-6-17)15-21(18-19-7-2-14-24-18)9-8-20-10-12-23-13-11-20/h3-6H,2,7-15H2,1H3
InChIKeyCLTIOARMLBYSID-UHFFFAOYSA-N
XLogP2.32
TPSA37.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 17338573
N-(cyclohex-3-en-1-ylmethyl)-N-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 17338517
1-[(4-methoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-propan-2-ylthiourea
CID 4112704
1-[(4-methoxyphenyl)methyl]-3-(2-methyl-6-propan-2-ylphenyl)-1-(2-morpholin-4-ylethyl)thiourea
CID 5067583
1-[(4-methoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 46007586
ethyl 2-[[(4-methoxyphenyl)methyl-(3-morpholin-4-ylpropyl)carbamoyl]amino]acetate
CID 42701674
3-(2,5-dichlorophenyl)-1-[(4-methoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)thiourea
CID 17370454
N,N-bis[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine
CID 167465334
N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 6460386
3-(4-chloro-3-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)thiourea
CID 4192719
4-[3-(4-methoxyphenoxy)propyl]morpholine
CID 2053845
N,N-bis[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethyl)-1,3-oxazol-2-amine
CID 167465845

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 17338576) is N-[(4-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is COc1ccc(CN(CCN2CCOCC2)C2=NCCCS2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is CLTIOARMLBYSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-22-17-5-3-16(4-6-17)15-21(18-19-7-2-14-24-18)9-8-20-10-12-23-13-11-20/h3-6H,2,7-15H2,1H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-[(4-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 349.50 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 17338576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).