4-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-2-amine

C16H20N2OS — CID 8878542

IUPAC4-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-2-amine
SMILESCOC[C@@H](C)Nc1nc(-c2ccc3c(c2)CCC3)cs1
InChIInChI=1S/C16H20N2OS/c1-11(9-19-2)17-16-18-15(10-20-16)14-7-6-12-4-3-5-13(12)8-14/h6-8,10-11H,3-5,9H2,1-2H3,(H,17,18)/t11-/m1/s1
InChIKeyGFWGBNXWQJUVTH-LLVKDONJSA-N
MW288.42 g/mol
LogP3.75
Rot. Bonds5

About 4-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-2-amine

4-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-2-amine (PubChem CID 8878542) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-2-amine
PubChem CID8878542
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name4-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-2-amine
SMILESCOC[C@@H](C)Nc1nc(-c2ccc3c(c2)CCC3)cs1
InChIInChI=1S/C16H20N2OS/c1-11(9-19-2)17-16-18-15(10-20-16)14-7-6-12-4-3-5-13(12)8-14/h6-8,10-11H,3-5,9H2,1-2H3,(H,17,18)/t11-/m1/s1
InChIKeyGFWGBNXWQJUVTH-LLVKDONJSA-N
XLogP3.75
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-2-amine with MolForge

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Related Compounds

N-[(2S)-1-methoxypropan-2-yl]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 9268587
4-(2,3-dihydro-1H-inden-5-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-methyl-1,3-thiazol-2-amine
CID 8878555
N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-(2-methoxyethoxy)acetamide
CID 35804890
N-[(2S)-1-methoxypropan-2-yl]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-amine
CID 2496794
N-[(2S)-1-methoxypropan-2-yl]-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-amine
CID 8750414
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-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 4142849
N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 43077781
4-(2,5-dimethoxyphenyl)-N-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-2-amine
CID 8750392
N-[4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-1,3-thiazol-4-yl]phenyl]benzamide
CID 8750419
[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]methanol
CID 71998381

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-2-amine (CID 8878542) is 4-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-2-amine is COC[C@@H](C)Nc1nc(-c2ccc3c(c2)CCC3)cs1.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-2-amine?
The InChIKey is GFWGBNXWQJUVTH-LLVKDONJSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-11(9-19-2)17-16-18-15(10-20-16)14-7-6-12-4-3-5-13(12)8-14/h6-8,10-11H,3-5,9H2,1-2H3,(H,17,18)/t11-/m1/s1.
What are the key properties of 4-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-2-amine?
4-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-2-amine has a molecular weight of 288.42 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 8878542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).