N-(3,4-dimethylphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine

C12H16N2S — CID 43440032

IUPACN-(3,4-dimethylphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1ccc(NC2=NC(C)CS2)cc1C
InChIInChI=1S/C12H16N2S/c1-8-4-5-11(6-9(8)2)14-12-13-10(3)7-15-12/h4-6,10H,7H2,1-3H3,(H,13,14)
InChIKeyQMSFMOKUSYVDSZ-UHFFFAOYSA-N
MW220.34 g/mol
LogP3.21
Rot. Bonds1

About N-(3,4-dimethylphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine

N-(3,4-dimethylphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 43440032) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID43440032
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC NameN-(3,4-dimethylphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1ccc(NC2=NC(C)CS2)cc1C
InChIInChI=1S/C12H16N2S/c1-8-4-5-11(6-9(8)2)14-12-13-10(3)7-15-12/h4-6,10H,7H2,1-3H3,(H,13,14)
InChIKeyQMSFMOKUSYVDSZ-UHFFFAOYSA-N
XLogP3.21
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43439861
N-(4-tert-butylphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43439714
4-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzenesulfonamide
CID 43439887
4-benzyl-N-(3-fluoro-4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63261697
(4S)-N-(3-bromo-4-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79246393
N-(3-fluoro-4-methylphenyl)-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 113376366
N-(3-chloro-4-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63183024
N-(4-fluoro-3-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63184109
N-(5-chloro-2-methoxyphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43439866
N-(4-fluoro-3-methylphenyl)-4-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 114211017
N-(2-bromo-4-fluorophenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43440061
N-(2-bromo-4-chlorophenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 81274901

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(3,4-dimethylphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine (CID 43440032) is N-(3,4-dimethylphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine is Cc1ccc(NC2=NC(C)CS2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is QMSFMOKUSYVDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-8-4-5-11(6-9(8)2)14-12-13-10(3)7-15-12/h4-6,10H,7H2,1-3H3,(H,13,14).
What are the key properties of N-(3,4-dimethylphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(3,4-dimethylphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 220.34 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 43440032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).