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

C16H17ClN2OS — CID 17338407

IUPACN-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESClc1ccccc1CN(Cc1ccco1)C1=NCCCS1
InChIInChI=1S/C16H17ClN2OS/c17-15-7-2-1-5-13(15)11-19(12-14-6-3-9-20-14)16-18-8-4-10-21-16/h1-3,5-7,9H,4,8,10-12H2
InChIKeyXOUULRAAIXGKKX-UHFFFAOYSA-N
MW320.84 g/mol
LogP4.43
Rot. Bonds4

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

N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 17338407) has the molecular formula C16H17ClN2OS and a molecular weight of 320.84 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID17338407
Molecular FormulaC16H17ClN2OS
Molecular Weight320.84 g/mol
Exact Mass320.08
IUPAC NameN-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESClc1ccccc1CN(Cc1ccco1)C1=NCCCS1
InChIInChI=1S/C16H17ClN2OS/c17-15-7-2-1-5-13(15)11-19(12-14-6-3-9-20-14)16-18-8-4-10-21-16/h1-3,5-7,9H,4,8,10-12H2
InChIKeyXOUULRAAIXGKKX-UHFFFAOYSA-N
XLogP4.43
TPSA28.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.84
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 17338407) is N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is Clc1ccccc1CN(Cc1ccco1)C1=NCCCS1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is XOUULRAAIXGKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2OS/c17-15-7-2-1-5-13(15)11-19(12-14-6-3-9-20-14)16-18-8-4-10-21-16/h1-3,5-7,9H,4,8,10-12H2.
What are the key properties of N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 320.84 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 17338407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).