N-(2-methylpropyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine

C16H22N2S — CID 60642186

IUPACN-(2-methylpropyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
SMILESCC(C)CNc1nc(-c2ccc(C(C)C)cc2)cs1
InChIInChI=1S/C16H22N2S/c1-11(2)9-17-16-18-15(10-19-16)14-7-5-13(6-8-14)12(3)4/h5-8,10-12H,9H2,1-4H3,(H,17,18)
InChIKeyJLXFXXPMOXIQAD-UHFFFAOYSA-N
MW274.43 g/mol
LogP5.00
Rot. Bonds5

About N-(2-methylpropyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine

N-(2-methylpropyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine (PubChem CID 60642186) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
PubChem CID60642186
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN-(2-methylpropyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
SMILESCC(C)CNc1nc(-c2ccc(C(C)C)cc2)cs1
InChIInChI=1S/C16H22N2S/c1-11(2)9-17-16-18-15(10-19-16)14-7-5-13(6-8-14)12(3)4/h5-8,10-12H,9H2,1-4H3,(H,17,18)
InChIKeyJLXFXXPMOXIQAD-UHFFFAOYSA-N
XLogP5.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.43
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 55027194
4-(3-fluorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 9420037
N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]butanamide
CID 3681052
N-(2-methylpropyl)-4-(3-methylthiophen-2-yl)-1,3-thiazol-2-amine
CID 63992614
N-(4-ethoxyphenyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 23889663
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 43951183
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-propan-2-ylbenzamide
CID 4120073
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 9420029
N-(6-methyl-2-pyridinyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 4607845
2-acetamido-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanamide
CID 75869192
N-(2-ethoxyphenyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 23775568
2,3,4,5,6-pentafluoro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4060927

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(2-methylpropyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine (CID 60642186) is N-(2-methylpropyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-methylpropyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-methylpropyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine is CC(C)CNc1nc(-c2ccc(C(C)C)cc2)cs1.
What is the InChIKey of N-(2-methylpropyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine?
The InChIKey is JLXFXXPMOXIQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-11(2)9-17-16-18-15(10-19-16)14-7-5-13(6-8-14)12(3)4/h5-8,10-12H,9H2,1-4H3,(H,17,18).
What are the key properties of N-(2-methylpropyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine?
N-(2-methylpropyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine has a molecular weight of 274.43 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 60642186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).