N-(1-methoxypropan-2-yl)-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine

C16H22N2OS — CID 4884366

IUPACN-(1-methoxypropan-2-yl)-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
SMILESCOCC(C)Nc1nc(-c2c(C)cc(C)cc2C)cs1
InChIInChI=1S/C16H22N2OS/c1-10-6-11(2)15(12(3)7-10)14-9-20-16(18-14)17-13(4)8-19-5/h6-7,9,13H,8H2,1-5H3,(H,17,18)
InChIKeyXAKLZLYISGTYQV-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.18
Rot. Bonds5

About N-(1-methoxypropan-2-yl)-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine

N-(1-methoxypropan-2-yl)-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine (PubChem CID 4884366) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
PubChem CID4884366
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-(1-methoxypropan-2-yl)-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
SMILESCOCC(C)Nc1nc(-c2c(C)cc(C)cc2C)cs1
InChIInChI=1S/C16H22N2OS/c1-10-6-11(2)15(12(3)7-10)14-9-20-16(18-14)17-13(4)8-19-5/h6-7,9,13H,8H2,1-5H3,(H,17,18)
InChIKeyXAKLZLYISGTYQV-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(1-methoxypropan-2-yl)-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine (CID 4884366) is N-(1-methoxypropan-2-yl)-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(1-methoxypropan-2-yl)-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine is COCC(C)Nc1nc(-c2c(C)cc(C)cc2C)cs1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine?
The InChIKey is XAKLZLYISGTYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-10-6-11(2)15(12(3)7-10)14-9-20-16(18-14)17-13(4)8-19-5/h6-7,9,13H,8H2,1-5H3,(H,17,18).
What are the key properties of N-(1-methoxypropan-2-yl)-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine?
N-(1-methoxypropan-2-yl)-4-(2,4,6-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-(1-methoxypropan-2-yl)-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 4884366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).