(4S,5S)-4-methyl-5-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine

C11H14N2S — CID 12044220

IUPAC(4S,5S)-4-methyl-5-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1ccc([C@@H]2SC(N)=N[C@H]2C)cc1
InChIInChI=1S/C11H14N2S/c1-7-3-5-9(6-4-7)10-8(2)13-11(12)14-10/h3-6,8,10H,1-2H3,(H2,12,13)/t8-,10+/m0/s1
InChIKeyKWWTWICEMDMPRG-WCBMZHEXSA-N
MW206.31 g/mol
LogP2.49
Rot. Bonds1

About (4S,5S)-4-methyl-5-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine

(4S,5S)-4-methyl-5-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 12044220) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is (4S,5S)-4-methyl-5-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name(4S,5S)-4-methyl-5-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID12044220
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name(4S,5S)-4-methyl-5-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1ccc([C@@H]2SC(N)=N[C@H]2C)cc1
InChIInChI=1S/C11H14N2S/c1-7-3-5-9(6-4-7)10-8(2)13-11(12)14-10/h3-6,8,10H,1-2H3,(H2,12,13)/t8-,10+/m0/s1
InChIKeyKWWTWICEMDMPRG-WCBMZHEXSA-N
XLogP2.49
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-(2-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 2966629
(4,5-Dihydro-thiazol-2-yl)-phenethyl-amine
CID 2404807
4,4-dimethyl-N-(2-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 135465266
(5r)-5-Methyl-N-(2-Phenylethyl)-4,5-Dihydro-1,3-Thiazol-2-Amine
CID 934585
benzyl N-cyano-N'-propan-2-ylcarbamimidothioate
CID 3700772
4-Phenyl-thiazolidin-(2E)-ylideneamine
CID 13196077
(4S)-4-methyl-4-phenyl-5,6-dihydro-1,3-thiazin-2-amine
CID 59374749
5-methyl-2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole
CID 2806607
N-[2-(4-fluorophenyl)ethyl]-4-methyl-1,3-thiazolidin-2-imine
CID 135934566
4-phenyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 12402628
4-Benzyl-2-methyl-4,5-dihydro-1,3-thiazole
CID 21607166
(s)-4-Benzyl-2-thiazoline
CID 129709702

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-methyl-5-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of (4S,5S)-4-methyl-5-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 12044220) is (4S,5S)-4-methyl-5-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for (4S,5S)-4-methyl-5-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for (4S,5S)-4-methyl-5-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine is Cc1ccc([C@@H]2SC(N)=N[C@H]2C)cc1.
What is the InChIKey of (4S,5S)-4-methyl-5-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is KWWTWICEMDMPRG-WCBMZHEXSA-N. The full InChI is InChI=1S/C11H14N2S/c1-7-3-5-9(6-4-7)10-8(2)13-11(12)14-10/h3-6,8,10H,1-2H3,(H2,12,13)/t8-,10+/m0/s1.
What are the key properties of (4S,5S)-4-methyl-5-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
(4S,5S)-4-methyl-5-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 206.31 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-methyl-5-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 12044220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).