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

C17H20N2O2S — CID 17338435

IUPACN-(furan-2-ylmethyl)-N-[(2-methoxyphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCOc1ccccc1CN(Cc1ccco1)C1=NCCCS1
InChIInChI=1S/C17H20N2O2S/c1-20-16-8-3-2-6-14(16)12-19(13-15-7-4-10-21-15)17-18-9-5-11-22-17/h2-4,6-8,10H,5,9,11-13H2,1H3
InChIKeyDGNZINBDUVDHIB-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.78
Rot. Bonds5

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

N-(furan-2-ylmethyl)-N-[(2-methoxyphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 17338435) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[(2-methoxyphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[(2-methoxyphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID17338435
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-(furan-2-ylmethyl)-N-[(2-methoxyphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCOc1ccccc1CN(Cc1ccco1)C1=NCCCS1
InChIInChI=1S/C17H20N2O2S/c1-20-16-8-3-2-6-14(16)12-19(13-15-7-4-10-21-15)17-18-9-5-11-22-17/h2-4,6-8,10H,5,9,11-13H2,1H3
InChIKeyDGNZINBDUVDHIB-UHFFFAOYSA-N
XLogP3.78
TPSA37.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-((3-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(furan-2-yl)methanone
CID 3646578
[2-[(2-Fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(furan-2-yl)methanone
CID 4088356
2-((3-benzyl-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(furan-2-ylmethyl)acetamide
CID 4349595
Furan-2-yl-[2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 4687568
CID 656370
CID 656370
(Z)-N-(3-(furan-2-ylmethyl)-4-methylthiazol-2(3H)-ylidene)benzamide
CID 741668
6-amino-2-(benzylthio)-1-(2-furylmethyl)-4(1H)-pyrimidinone
CID 1258891
Ethyl {[6-(2-furylmethyl)-7-oxo-3-(2-phenylethyl)-2-thioxo-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]thio}acetate
CID 3235630
[2-[(4-Fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(furan-2-yl)methanone
CID 3334605
Furan-2-yl-[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 5061509
[3-[[5-(4-Methoxyphenyl)furan-2-yl]methyl]-1,3-thiazolidin-2-ylidene]cyanamide
CID 162670348
(5Z)-3-(furan-2-ylmethyl)-5-[(2-hydroxyphenyl)methylidene]-2-methylsulfanylimidazol-4-one
CID 6079098

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[(2-methoxyphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(furan-2-ylmethyl)-N-[(2-methoxyphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 17338435) is N-(furan-2-ylmethyl)-N-[(2-methoxyphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[(2-methoxyphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[(2-methoxyphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is COc1ccccc1CN(Cc1ccco1)C1=NCCCS1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[(2-methoxyphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is DGNZINBDUVDHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-20-16-8-3-2-6-14(16)12-19(13-15-7-4-10-21-15)17-18-9-5-11-22-17/h2-4,6-8,10H,5,9,11-13H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-[(2-methoxyphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(furan-2-ylmethyl)-N-[(2-methoxyphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 316.43 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[(2-methoxyphenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 17338435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).