N-[(2S)-1-methoxypropan-2-yl]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-amine

C16H22N2OS — CID 2496794

IUPACN-[(2S)-1-methoxypropan-2-yl]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-amine
SMILESCOC[C@H](C)Nc1nc(-c2cc(C)c(C)cc2C)cs1
InChIInChI=1S/C16H22N2OS/c1-10-6-12(3)14(7-11(10)2)15-9-20-16(18-15)17-13(4)8-19-5/h6-7,9,13H,8H2,1-5H3,(H,17,18)/t13-/m0/s1
InChIKeyDRDGYDVSRBWPCH-ZDUSSCGKSA-N
MW290.43 g/mol
LogP4.18
Rot. Bonds5

About N-[(2S)-1-methoxypropan-2-yl]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-amine

N-[(2S)-1-methoxypropan-2-yl]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-amine (PubChem CID 2496794) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[(2S)-1-methoxypropan-2-yl]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(2S)-1-methoxypropan-2-yl]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-amine
PubChem CID2496794
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-[(2S)-1-methoxypropan-2-yl]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-amine
SMILESCOC[C@H](C)Nc1nc(-c2cc(C)c(C)cc2C)cs1
InChIInChI=1S/C16H22N2OS/c1-10-6-12(3)14(7-11(10)2)15-9-20-16(18-15)17-13(4)8-19-5/h6-7,9,13H,8H2,1-5H3,(H,17,18)/t13-/m0/s1
InChIKeyDRDGYDVSRBWPCH-ZDUSSCGKSA-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

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
4-(2,5-dimethoxyphenyl)-N-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-2-amine
CID 8750392
N-[(2S)-1-methoxypropan-2-yl]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 9268587
4-(5-fluoro-2-methoxyphenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,3-thiazol-2-amine
CID 8878537
N-[(2S)-1-methoxypropan-2-yl]-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-amine
CID 8750414
N-[3-fluoro-4-[2-(1-methoxypropan-2-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 17458228
4-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-2-amine
CID 8878542
4-[1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2,5-dimethylpyrrol-3-yl]-N-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-2-amine
CID 8878576
N-[4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-1,3-thiazol-4-yl]phenyl]benzamide
CID 8750419
[4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]hydrazine
CID 39103679
2-(4-methoxyphenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7924821

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-amine (CID 2496794) is N-[(2S)-1-methoxypropan-2-yl]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(2S)-1-methoxypropan-2-yl]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[(2S)-1-methoxypropan-2-yl]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-amine is COC[C@H](C)Nc1nc(-c2cc(C)c(C)cc2C)cs1.
What is the InChIKey of N-[(2S)-1-methoxypropan-2-yl]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-amine?
The InChIKey is DRDGYDVSRBWPCH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-10-6-12(3)14(7-11(10)2)15-9-20-16(18-15)17-13(4)8-19-5/h6-7,9,13H,8H2,1-5H3,(H,17,18)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-methoxypropan-2-yl]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-amine?
N-[(2S)-1-methoxypropan-2-yl]-4-(2,4,5-trimethylphenyl)-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 N-[(2S)-1-methoxypropan-2-yl]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 2496794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).