1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine

C16H22N2S — CID 61339037

IUPAC1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine
SMILESCc1ccc(C)c(-c2csc(C(N)C(C)(C)C)n2)c1
InChIInChI=1S/C16H22N2S/c1-10-6-7-11(2)12(8-10)13-9-19-15(18-13)14(17)16(3,4)5/h6-9,14H,17H2,1-5H3
InChIKeyQKKXXIATZZHHSK-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.47
Rot. Bonds2

About 1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine

1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine (PubChem CID 61339037) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine
PubChem CID61339037
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine
SMILESCc1ccc(C)c(-c2csc(C(N)C(C)(C)C)n2)c1
InChIInChI=1S/C16H22N2S/c1-10-6-7-11(2)12(8-10)13-9-19-15(18-13)14(17)16(3,4)5/h6-9,14H,17H2,1-5H3
InChIKeyQKKXXIATZZHHSK-UHFFFAOYSA-N
XLogP4.47
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine?
The IUPAC name of 1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine (CID 61339037) is 1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for 1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine is Cc1ccc(C)c(-c2csc(C(N)C(C)(C)C)n2)c1.
What is the InChIKey of 1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine?
The InChIKey is QKKXXIATZZHHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-10-6-7-11(2)12(8-10)13-9-19-15(18-13)14(17)16(3,4)5/h6-9,14H,17H2,1-5H3.
What are the key properties of 1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine?
1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine has a molecular weight of 274.43 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 61339037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).