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

C12H16N2OS — CID 2345498

IUPACN-(4-ethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCOc1ccc(NC2=NCCCS2)cc1
InChIInChI=1S/C12H16N2OS/c1-2-15-11-6-4-10(5-7-11)14-12-13-8-3-9-16-12/h4-7H,2-3,8-9H2,1H3,(H,13,14)
InChIKeyGUTMGLXKZQVYEY-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.99
Rot. Bonds3

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

N-(4-ethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 2345498) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID2345498
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC NameN-(4-ethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCOc1ccc(NC2=NCCCS2)cc1
InChIInChI=1S/C12H16N2OS/c1-2-15-11-6-4-10(5-7-11)14-12-13-8-3-9-16-12/h4-7H,2-3,8-9H2,1H3,(H,13,14)
InChIKeyGUTMGLXKZQVYEY-UHFFFAOYSA-N
XLogP2.99
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 14391638
4-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-1-N-phenylbenzene-1,4-diamine
CID 17338742
1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine
CID 139791472
ethyl N-[(Z)-1-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethylideneamino]carbamate
CID 9076079
N-(3-ethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 28878465
N-(4-ethoxyphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine
CID 62522939
N-(3-butan-2-yloxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 62327728
N-(4-bromo-3-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 29068137
(4S)-N-(4-ethoxyphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79247001
4-chloro-N-(4-ethoxyphenyl)-1,2,5-thiadiazol-3-amine
CID 43426956
(E)-1-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]-3-(4-methoxy-3-propoxyphenyl)prop-2-en-1-one
CID 8685780
N-[[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 139763051

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(4-ethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 2345498) is N-(4-ethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(4-ethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(4-ethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is CCOc1ccc(NC2=NCCCS2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is GUTMGLXKZQVYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-2-15-11-6-4-10(5-7-11)14-12-13-8-3-9-16-12/h4-7H,2-3,8-9H2,1H3,(H,13,14).
What are the key properties of N-(4-ethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(4-ethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 236.34 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 2345498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).