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

C14H20N2OS — CID 62327728

IUPACN-(3-butan-2-yloxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCC(C)Oc1cccc(NC2=NCCCS2)c1
InChIInChI=1S/C14H20N2OS/c1-3-11(2)17-13-7-4-6-12(10-13)16-14-15-8-5-9-18-14/h4,6-7,10-11H,3,5,8-9H2,1-2H3,(H,15,16)
InChIKeyLLLIKDLMYHBRFW-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.77
Rot. Bonds4

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

N-(3-butan-2-yloxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 62327728) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-(3-butan-2-yloxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(3-butan-2-yloxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID62327728
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-(3-butan-2-yloxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCC(C)Oc1cccc(NC2=NCCCS2)c1
InChIInChI=1S/C14H20N2OS/c1-3-11(2)17-13-7-4-6-12(10-13)16-14-15-8-5-9-18-14/h4,6-7,10-11H,3,5,8-9H2,1-2H3,(H,15,16)
InChIKeyLLLIKDLMYHBRFW-UHFFFAOYSA-N
XLogP3.77
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-butan-2-yloxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 62327894
N-(3-ethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 28878465
N-(3-butan-2-yloxyphenyl)-3-chloro-1,2,4-triazin-5-amine
CID 55060108
N-(4-ethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 2345498
N-(3-butan-2-yloxyphenyl)-6-hydrazinylpyridin-2-amine
CID 80908739
N-(3-butan-2-yloxyphenyl)-2-chloro-6-methylpyrimidin-4-amine
CID 63548911
2-N-(3-butan-2-yloxyphenyl)-6-methylpyridine-2,3-diamine
CID 81133161
4-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-1-N-phenylbenzene-1,4-diamine
CID 17338742
N-(3-butan-2-yloxyphenyl)-6-fluoropyrimidin-4-amine
CID 113305699
2-[(3-butan-2-yloxyphenyl)carbamoyl-methylamino]acetic acid
CID 62329438
5-(3-butan-2-yloxyanilino)-1,3-thiazole-4-carboxylic acid
CID 64629880
N-(2,6-diethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 43148942

Frequently Asked Questions

What is the IUPAC name of N-(3-butan-2-yloxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(3-butan-2-yloxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 62327728) is N-(3-butan-2-yloxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(3-butan-2-yloxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(3-butan-2-yloxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is CCC(C)Oc1cccc(NC2=NCCCS2)c1.
What is the InChIKey of N-(3-butan-2-yloxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is LLLIKDLMYHBRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-3-11(2)17-13-7-4-6-12(10-13)16-14-15-8-5-9-18-14/h4,6-7,10-11H,3,5,8-9H2,1-2H3,(H,15,16).
What are the key properties of N-(3-butan-2-yloxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(3-butan-2-yloxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 264.39 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butan-2-yloxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 62327728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).