1-(2-methyl-1,3-thiazol-4-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine

C16H22N2S — CID 55119893

IUPAC1-(2-methyl-1,3-thiazol-4-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine
SMILESCc1cc(C)c(CC(N)Cc2csc(C)n2)c(C)c1
InChIInChI=1S/C16H22N2S/c1-10-5-11(2)16(12(3)6-10)8-14(17)7-15-9-19-13(4)18-15/h5-6,9,14H,7-8,17H2,1-4H3
InChIKeySBSMSHFVFNJJLZ-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.49
Rot. Bonds4

About 1-(2-methyl-1,3-thiazol-4-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine

1-(2-methyl-1,3-thiazol-4-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine (PubChem CID 55119893) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 1-(2-methyl-1,3-thiazol-4-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-methyl-1,3-thiazol-4-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine
PubChem CID55119893
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name1-(2-methyl-1,3-thiazol-4-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine
SMILESCc1cc(C)c(CC(N)Cc2csc(C)n2)c(C)c1
InChIInChI=1S/C16H22N2S/c1-10-5-11(2)16(12(3)6-10)8-14(17)7-15-9-19-13(4)18-15/h5-6,9,14H,7-8,17H2,1-4H3
InChIKeySBSMSHFVFNJJLZ-UHFFFAOYSA-N
XLogP3.49
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 62798804
(2S)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 94607240
6-methyl-1-(2-methyl-1,3-thiazol-4-yl)heptan-2-amine
CID 83161989
4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-4-en-2-amine
CID 79178263
5-ethylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine
CID 65095510
1-(2-bromo-5-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62799862
1-(5-ethyl-2-pyridinyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 79748691
N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 105120883
[1-(2,6-dimethylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-yl]hydrazine
CID 105214705
2-amino-3-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride
CID 170891844
4-methylsulfanyl-1-(2,4,6-trimethylphenyl)butan-2-amine
CID 105121218
1-(5-methylfuran-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104997036

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine?
The IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine (CID 55119893) is 1-(2-methyl-1,3-thiazol-4-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine.
What is the SMILES notation for 1-(2-methyl-1,3-thiazol-4-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine?
The canonical SMILES for 1-(2-methyl-1,3-thiazol-4-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine is Cc1cc(C)c(CC(N)Cc2csc(C)n2)c(C)c1.
What is the InChIKey of 1-(2-methyl-1,3-thiazol-4-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine?
The InChIKey is SBSMSHFVFNJJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-10-5-11(2)16(12(3)6-10)8-14(17)7-15-9-19-13(4)18-15/h5-6,9,14H,7-8,17H2,1-4H3.
What are the key properties of 1-(2-methyl-1,3-thiazol-4-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine?
1-(2-methyl-1,3-thiazol-4-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine has a molecular weight of 274.43 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-thiazol-4-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine is sourced from PubChem (CID 55119893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).