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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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).