4-(2,5-dimethylphenyl)-N-[(2R)-1-methoxypropan-2-yl]-5-methyl-1,3-thiazol-2-amine

C16H22N2OS — CID 8878632

IUPAC4-(2,5-dimethylphenyl)-N-[(2R)-1-methoxypropan-2-yl]-5-methyl-1,3-thiazol-2-amine
SMILESCOC[C@@H](C)Nc1nc(-c2cc(C)ccc2C)c(C)s1
InChIInChI=1S/C16H22N2OS/c1-10-6-7-11(2)14(8-10)15-13(4)20-16(18-15)17-12(3)9-19-5/h6-8,12H,9H2,1-5H3,(H,17,18)/t12-/m1/s1
InChIKeyNOBSLBJZPVLLSE-GFCCVEGCSA-N
MW290.43 g/mol
LogP4.18
Rot. Bonds5

About 4-(2,5-dimethylphenyl)-N-[(2R)-1-methoxypropan-2-yl]-5-methyl-1,3-thiazol-2-amine

4-(2,5-dimethylphenyl)-N-[(2R)-1-methoxypropan-2-yl]-5-methyl-1,3-thiazol-2-amine (PubChem CID 8878632) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 4-(2,5-dimethylphenyl)-N-[(2R)-1-methoxypropan-2-yl]-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,5-dimethylphenyl)-N-[(2R)-1-methoxypropan-2-yl]-5-methyl-1,3-thiazol-2-amine
PubChem CID8878632
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name4-(2,5-dimethylphenyl)-N-[(2R)-1-methoxypropan-2-yl]-5-methyl-1,3-thiazol-2-amine
SMILESCOC[C@@H](C)Nc1nc(-c2cc(C)ccc2C)c(C)s1
InChIInChI=1S/C16H22N2OS/c1-10-6-7-11(2)14(8-10)15-13(4)20-16(18-15)17-12(3)9-19-5/h6-8,12H,9H2,1-5H3,(H,17,18)/t12-/m1/s1
InChIKeyNOBSLBJZPVLLSE-GFCCVEGCSA-N
XLogP4.18
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,5-dimethylphenyl)-N,5-dimethyl-1,3-thiazol-2-amine
CID 8963113
4-(2,3-dihydro-1H-inden-5-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-methyl-1,3-thiazol-2-amine
CID 8878555
2-amino-N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 39177638
3-amino-N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 39183433
4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
CID 842777
N-[(2S)-1-methoxypropan-2-yl]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 9268587
N-[(2S)-1-methoxypropan-2-yl]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-amine
CID 2496794
N-(1-methoxypropan-2-yl)-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
CID 4884366
N-[(2S)-1-methoxypropan-2-yl]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
CID 2649638
N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]furan-2-carboxamide
CID 774248
2-cyclopentylidene-2-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]acetonitrile
CID 9356520
2-[[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 87310875

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenyl)-N-[(2R)-1-methoxypropan-2-yl]-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,5-dimethylphenyl)-N-[(2R)-1-methoxypropan-2-yl]-5-methyl-1,3-thiazol-2-amine (CID 8878632) is 4-(2,5-dimethylphenyl)-N-[(2R)-1-methoxypropan-2-yl]-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,5-dimethylphenyl)-N-[(2R)-1-methoxypropan-2-yl]-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,5-dimethylphenyl)-N-[(2R)-1-methoxypropan-2-yl]-5-methyl-1,3-thiazol-2-amine is COC[C@@H](C)Nc1nc(-c2cc(C)ccc2C)c(C)s1.
What is the InChIKey of 4-(2,5-dimethylphenyl)-N-[(2R)-1-methoxypropan-2-yl]-5-methyl-1,3-thiazol-2-amine?
The InChIKey is NOBSLBJZPVLLSE-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-10-6-7-11(2)14(8-10)15-13(4)20-16(18-15)17-12(3)9-19-5/h6-8,12H,9H2,1-5H3,(H,17,18)/t12-/m1/s1.
What are the key properties of 4-(2,5-dimethylphenyl)-N-[(2R)-1-methoxypropan-2-yl]-5-methyl-1,3-thiazol-2-amine?
4-(2,5-dimethylphenyl)-N-[(2R)-1-methoxypropan-2-yl]-5-methyl-1,3-thiazol-2-amine has a molecular weight of 290.43 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenyl)-N-[(2R)-1-methoxypropan-2-yl]-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 8878632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).