4-methyl-N-(4-propan-2-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

C14H20N2S — CID 83186701

IUPAC4-methyl-N-(4-propan-2-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CCSC(Nc2ccc(C(C)C)cc2)=N1
InChIInChI=1S/C14H20N2S/c1-10(2)12-4-6-13(7-5-12)16-14-15-11(3)8-9-17-14/h4-7,10-11H,8-9H2,1-3H3,(H,15,16)
InChIKeySQJUDNKKFPWDJI-UHFFFAOYSA-N
MW248.39 g/mol
LogP4.10
Rot. Bonds2

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

4-methyl-N-(4-propan-2-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 83186701) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 4-methyl-N-(4-propan-2-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name4-methyl-N-(4-propan-2-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID83186701
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC Name4-methyl-N-(4-propan-2-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CCSC(Nc2ccc(C(C)C)cc2)=N1
InChIInChI=1S/C14H20N2S/c1-10(2)12-4-6-13(7-5-12)16-14-15-11(3)8-9-17-14/h4-7,10-11H,8-9H2,1-3H3,(H,15,16)
InChIKeySQJUDNKKFPWDJI-UHFFFAOYSA-N
XLogP4.10
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83187370
4-[(4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzenesulfonamide
CID 83188188
N-(4-bromo-3-chlorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 107614120
N-(3-bromo-4-chlorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83188652
4-(2-methylpropyl)-N-(4-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61245797
N-(1-benzothiophen-5-yl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83187964
5-methyl-N-(4-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 4658496
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83187231
4-methyl-N-quinolin-6-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83188493
N-(3-ethylphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83187098
N-(2,6-dichloro-3-methylphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83186697
N-(3-ethoxyphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83187669

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-propan-2-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of 4-methyl-N-(4-propan-2-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 83186701) is 4-methyl-N-(4-propan-2-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for 4-methyl-N-(4-propan-2-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for 4-methyl-N-(4-propan-2-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is CC1CCSC(Nc2ccc(C(C)C)cc2)=N1.
What is the InChIKey of 4-methyl-N-(4-propan-2-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is SQJUDNKKFPWDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-10(2)12-4-6-13(7-5-12)16-14-15-11(3)8-9-17-14/h4-7,10-11H,8-9H2,1-3H3,(H,15,16).
What are the key properties of 4-methyl-N-(4-propan-2-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
4-methyl-N-(4-propan-2-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 248.39 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-propan-2-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 83186701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).