N-(3,4-dimethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

C12H16N2O2S — CID 2346409

IUPACN-(3,4-dimethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCOc1ccc(NC2=NCCCS2)cc1OC
InChIInChI=1S/C12H16N2O2S/c1-15-10-5-4-9(8-11(10)16-2)14-12-13-6-3-7-17-12/h4-5,8H,3,6-7H2,1-2H3,(H,13,14)
InChIKeyHMNSKRCSGMKWTN-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.61
Rot. Bonds3

About N-(3,4-dimethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

N-(3,4-dimethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 2346409) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID2346409
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC NameN-(3,4-dimethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCOc1ccc(NC2=NCCCS2)cc1OC
InChIInChI=1S/C12H16N2O2S/c1-15-10-5-4-9(8-11(10)16-2)14-12-13-6-3-7-17-12/h4-5,8H,3,6-7H2,1-2H3,(H,13,14)
InChIKeyHMNSKRCSGMKWTN-UHFFFAOYSA-N
XLogP2.61
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-Dihydro-N-(4-methoxyphenyl)-5-methyl-2-thiazolamine
CID 613778
N-(4-Ethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 2345498
2-(P-Anisidino)-2-thiazoline
CID 291787
N-(2,5-dimethoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 696316
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 860074
N-(5,6-Dihydro-4H-[1,3]thiazin-2-yl)-N-(3-methoxy-phenyl)-acetamide
CID 1431142
N-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 2732853
(5,6-Dihydro-4H-[1,3]thiazin-2-yl)-(3-methoxy-phenyl)-amine
CID 3228495
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-hydroxy-6-methylpyrimidin-2-yl)sulfanyl]acetamide
CID 135460604
Methyl 3,4-dimethoxyphenyldithiocarbamate
CID 800707
N-(3,4-dimethoxyphenyl)-2-[(4-hydroxy-6-phenylpyrimidin-2-yl)sulfanyl]acetamide
CID 135410958
N-(2,5-dimethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 2346391

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(3,4-dimethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 2346409) is N-(3,4-dimethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is COc1ccc(NC2=NCCCS2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is HMNSKRCSGMKWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-15-10-5-4-9(8-11(10)16-2)14-12-13-6-3-7-17-12/h4-5,8H,3,6-7H2,1-2H3,(H,13,14).
What are the key properties of N-(3,4-dimethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(3,4-dimethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 252.34 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 2346409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).